[6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate

C402H270O118 — CID 164994980

IUPAC[6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
SMILESCc1cc(C(=O)Oc2cc(C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(OC(=O)c5cc(OCc6ccccc6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)[C@H](OC(=O)c4cc(OC(=O)c5cc(OCc6ccccc6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)[C@@H]3OC(=O)c3cc(OC(=O)c4cc(C)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)cc3c2OC(c2ccccc2)(c2ccccc2)O3)cc2c1OC(c1ccccc1)(c1ccccc1)O2.O=C(O)c1cc(OC(=O)c2cc(OCc3ccccc3)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)[C@H](OC(=O)c2cc(O)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)[C@@H]1OC(=O)c1cc(O)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2)c1cc(O)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1
InChIInChI=1S/C181H122O35.C89H58O53.C85H58O21.C47H32O9/c1-112-93-116(101-146-155(112)209-174(201-146,124-61-25-5-26-62-124)125-63-27-6-28-64-125)166(183)193-142-97-118(103-150-159(142)213-178(205-150,132-77-41-13-42-78-132)133-79-43-14-44-80-133)165(182)192-111-154-163(198-170(187)121-98-143(160-151(106-121)206-179(214-160,134-81-45-15-46-82-134)135-83-47-16-48-84-135)194-167(184)117-94-113(2)156-147(102-117)202-175(210-156,126-65-29-7-30-66-126)127-67-31-8-32-68-127)164(199-171(188)122-99-144(161-152(107-122)207-180(215-161,136-85-49-17-50-86-136)137-87-51-18-52-88-137)195-168(185)119-95-140(190-109-114-57-21-3-22-58-114)157-148(104-119)203-176(211-157,128-69-33-9-34-70-128)129-71-35-10-36-72-129)173(197-154)200-172(189)123-100-145(162-153(108-123)208-181(216-162,138-89-53-19-54-90-138)139-91-55-20-56-92-139)196-169(186)120-96-141(191-110-115-59-23-4-24-60-115)158-149(105-120)204-177(212-158,130-73-37-11-38-74-130)131-75-39-12-40-76-131;90-38-1-26(2-39(91)63(38)106)78(119)131-55-18-31(10-47(99)68(55)111)82(123)135-54-17-30(9-46(98)67(54)110)77(118)130-25-62-75(140-86(127)35-14-51(103)72(115)59(22-35)136-83(124)32-11-48(100)69(112)56(19-32)132-79(120)27-3-40(92)64(107)41(93)4-27)76(141-87(128)36-15-52(104)73(116)60(23-36)137-84(125)33-12-49(101)70(113)57(20-33)133-80(121)28-5-42(94)65(108)43(95)6-28)89(139-62)142-88(129)37-16-53(105)74(117)61(24-37)138-85(126)34-13-50(102)71(114)58(21-34)134-81(122)29-7-44(96)66(109)45(97)8-29;86-62-41-50(45-66-71(62)103-82(99-66,54-25-9-1-10-26-54)55-27-11-2-12-28-55)77(90)94-49-70-75(96-78(91)51-42-63(87)72-67(46-51)100-83(104-72,56-29-13-3-14-30-56)57-31-15-4-16-32-57)76(97-79(92)52-43-64(88)73-68(47-52)101-84(105-73,58-33-17-5-18-34-58)59-35-19-6-20-36-59)81(95-70)98-80(93)53-44-65(89)74-69(48-53)102-85(106-74,60-37-21-7-22-38-60)61-39-23-8-24-40-61;48-44(49)32-26-39(43-40(27-32)53-47(56-43,36-22-12-4-13-23-36)37-24-14-5-15-25-37)52-45(50)33-28-38(51-30-31-16-6-1-7-17-31)42-41(29-33)54-46(55-42,34-18-8-2-9-19-34)35-20-10-3-11-21-35/h3-108,154,163-164,173H,109-111H2,1-2H3;1-24,62,75-76,89-117H,25H2;1-48,70,75-76,81,86-89H,49H2;1-29H,30H2,(H,48,49)/t154-,163-,164-,173+;62-,75-,76-,89-;70-,75-,76-,81+;/m111./s1
InChIKeyHKRHLIXMOOGZKA-JAZNUKRPSA-N
MW6988.46 g/mol
LogP65.21
Rot. Bonds91

About [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate

[6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate (PubChem CID 164994980) has the molecular formula C402H270O118 and a molecular weight of 6988.46 g/mol. Its IUPAC name is [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate.

Molecular Properties

Compound Name[6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
PubChem CID164994980
Molecular FormulaC402H270O118
Molecular Weight6988.46 g/mol
Exact Mass6983.51
IUPAC Name[6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
SMILESCc1cc(C(=O)Oc2cc(C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(OC(=O)c5cc(OCc6ccccc6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)[C@H](OC(=O)c4cc(OC(=O)c5cc(OCc6ccccc6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)[C@@H]3OC(=O)c3cc(OC(=O)c4cc(C)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)cc3c2OC(c2ccccc2)(c2ccccc2)O3)cc2c1OC(c1ccccc1)(c1ccccc1)O2.O=C(O)c1cc(OC(=O)c2cc(OCc3ccccc3)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)[C@H](OC(=O)c2cc(O)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)[C@@H]1OC(=O)c1cc(O)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2)c1cc(O)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1
InChIInChI=1S/C181H122O35.C89H58O53.C85H58O21.C47H32O9/c1-112-93-116(101-146-155(112)209-174(201-146,124-61-25-5-26-62-124)125-63-27-6-28-64-125)166(183)193-142-97-118(103-150-159(142)213-178(205-150,132-77-41-13-42-78-132)133-79-43-14-44-80-133)165(182)192-111-154-163(198-170(187)121-98-143(160-151(106-121)206-179(214-160,134-81-45-15-46-82-134)135-83-47-16-48-84-135)194-167(184)117-94-113(2)156-147(102-117)202-175(210-156,126-65-29-7-30-66-126)127-67-31-8-32-68-127)164(199-171(188)122-99-144(161-152(107-122)207-180(215-161,136-85-49-17-50-86-136)137-87-51-18-52-88-137)195-168(185)119-95-140(190-109-114-57-21-3-22-58-114)157-148(104-119)203-176(211-157,128-69-33-9-34-70-128)129-71-35-10-36-72-129)173(197-154)200-172(189)123-100-145(162-153(108-123)208-181(216-162,138-89-53-19-54-90-138)139-91-55-20-56-92-139)196-169(186)120-96-141(191-110-115-59-23-4-24-60-115)158-149(105-120)204-177(212-158,130-73-37-11-38-74-130)131-75-39-12-40-76-131;90-38-1-26(2-39(91)63(38)106)78(119)131-55-18-31(10-47(99)68(55)111)82(123)135-54-17-30(9-46(98)67(54)110)77(118)130-25-62-75(140-86(127)35-14-51(103)72(115)59(22-35)136-83(124)32-11-48(100)69(112)56(19-32)132-79(120)27-3-40(92)64(107)41(93)4-27)76(141-87(128)36-15-52(104)73(116)60(23-36)137-84(125)33-12-49(101)70(113)57(20-33)133-80(121)28-5-42(94)65(108)43(95)6-28)89(139-62)142-88(129)37-16-53(105)74(117)61(24-37)138-85(126)34-13-50(102)71(114)58(21-34)134-81(122)29-7-44(96)66(109)45(97)8-29;86-62-41-50(45-66-71(62)103-82(99-66,54-25-9-1-10-26-54)55-27-11-2-12-28-55)77(90)94-49-70-75(96-78(91)51-42-63(87)72-67(46-51)100-83(104-72,56-29-13-3-14-30-56)57-31-15-4-16-32-57)76(97-79(92)52-43-64(88)73-68(47-52)101-84(105-73,58-33-17-5-18-34-58)59-35-19-6-20-36-59)81(95-70)98-80(93)53-44-65(89)74-69(48-53)102-85(106-74,60-37-21-7-22-38-60)61-39-23-8-24-40-61;48-44(49)32-26-39(43-40(27-32)53-47(56-43,36-22-12-4-13-23-36)37-24-14-5-15-25-37)52-45(50)33-28-38(51-30-31-16-6-1-7-17-31)42-41(29-33)54-46(55-42,34-18-8-2-9-19-34)35-20-10-3-11-21-35/h3-108,154,163-164,173H,109-111H2,1-2H3;1-24,62,75-76,89-117H,25H2;1-48,70,75-76,81,86-89H,49H2;1-29H,30H2,(H,48,49)/t154-,163-,164-,173+;62-,75-,76-,89-;70-,75-,76-,81+;/m111./s1
InChIKeyHKRHLIXMOOGZKA-JAZNUKRPSA-N
XLogP65.21
TPSA1655.98 Ų
H-Bond Donors33
H-Bond Acceptors117
Rotatable Bonds91
Heavy Atoms520
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006988.46
LogP ≤ 565.21
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 10117

Analyze [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate with MolForge

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Related Compounds

[2,3-dihydroxy-5-[(4S,5R,6R)-3,4,5-tris[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]-6-[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxymethyl]oxan-2-yl]oxycarbonylphenyl] 3,4-dihydroxy-5-methylbenzoate
CID 158531577
[5-[5-[2,3-dihydroxy-5-[(2R,3R,4S,5R,6R)-2,4,5-tris[[3-[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]-6-[[3-[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxymethyl]oxan-3-yl]oxycarbonylphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate
CID 161007406
[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carbonyl)oxy]oxan-2-yl]methyl 2,2-diphenyl-7-prop-2-enoxy-1,3-benzodioxole-5-carboxylate
CID 153284795
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoic acid;7-[7-(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
CID 165104219
[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-4,5,6-tris[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]-3-[3-[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxyoxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate
CID 160900281
[2,3-dihydroxy-5-[(2R,3R,4S,5R,6R)-2,4,5-tris[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]-6-[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxymethyl]oxan-3-yl]oxycarbonylphenyl] 3,5-dihydroxy-4-methylbenzoate
CID 158622616
CID 175827657
CID 175827657
[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-[(7-hydroxy-2,2-diphenyl-1,3-benzodioxol-5-yl)methoxy]-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
CID 164819954
[2,3-dihydroxy-5-[[(2R,3R,4S,5R)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate;methyl 3,5-dihydroxy-4-methylbenzoate
CID 163515145
[3-(3,5-dihydroxy-4-phenylmethoxybenzoyl)oxy-4,5-bis(phenylmethoxy)-6-[3,4,5-tris(phenylmethoxy)benzoyl]oxyoxan-2-yl]methyl 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 118873141
[(3S,4S,6S)-6-acetyloxy-3,4,5-tris[[3,4,5-tris(phenylmethoxy)benzoyl]oxy]oxan-2-yl]methyl 3,4,5-tris(phenylmethoxy)benzoate
CID 59685915
[3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
CID 18709973

Frequently Asked Questions

What is the IUPAC name of [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate?
The IUPAC name of [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate (CID 164994980) is [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate.
What is the SMILES notation for [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate?
The canonical SMILES for [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate is Cc1cc(C(=O)Oc2cc(C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(OC(=O)c5cc(OCc6ccccc6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)[C@H](OC(=O)c4cc(OC(=O)c5cc(OCc6ccccc6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)[C@@H]3OC(=O)c3cc(OC(=O)c4cc(C)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)cc3c2OC(c2ccccc2)(c2ccccc2)O3)cc2c1OC(c1ccccc1)(c1ccccc1)O2.O=C(O)c1cc(OC(=O)c2cc(OCc3ccccc3)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)[C@H](OC(=O)c2cc(O)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)[C@@H]1OC(=O)c1cc(O)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2)c1cc(O)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1.
What is the InChIKey of [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate?
The InChIKey is HKRHLIXMOOGZKA-JAZNUKRPSA-N. The full InChI is InChI=1S/C181H122O35.C89H58O53.C85H58O21.C47H32O9/c1-112-93-116(101-146-155(112)209-174(201-146,124-61-25-5-26-62-124)125-63-27-6-28-64-125)166(183)193-142-97-118(103-150-159(142)213-178(205-150,132-77-41-13-42-78-132)133-79-43-14-44-80-133)165(182)192-111-154-163(198-170(187)121-98-143(160-151(106-121)206-179(214-160,134-81-45-15-46-82-134)135-83-47-16-48-84-135)194-167(184)117-94-113(2)156-147(102-117)202-175(210-156,126-65-29-7-30-66-126)127-67-31-8-32-68-127)164(199-171(188)122-99-144(161-152(107-122)207-180(215-161,136-85-49-17-50-86-136)137-87-51-18-52-88-137)195-168(185)119-95-140(190-109-114-57-21-3-22-58-114)157-148(104-119)203-176(211-157,128-69-33-9-34-70-128)129-71-35-10-36-72-129)173(197-154)200-172(189)123-100-145(162-153(108-123)208-181(216-162,138-89-53-19-54-90-138)139-91-55-20-56-92-139)196-169(186)120-96-141(191-110-115-59-23-4-24-60-115)158-149(105-120)204-177(212-158,130-73-37-11-38-74-130)131-75-39-12-40-76-131;90-38-1-26(2-39(91)63(38)106)78(119)131-55-18-31(10-47(99)68(55)111)82(123)135-54-17-30(9-46(98)67(54)110)77(118)130-25-62-75(140-86(127)35-14-51(103)72(115)59(22-35)136-83(124)32-11-48(100)69(112)56(19-32)132-79(120)27-3-40(92)64(107)41(93)4-27)76(141-87(128)36-15-52(104)73(116)60(23-36)137-84(125)33-12-49(101)70(113)57(20-33)133-80(121)28-5-42(94)65(108)43(95)6-28)89(139-62)142-88(129)37-16-53(105)74(117)61(24-37)138-85(126)34-13-50(102)71(114)58(21-34)134-81(122)29-7-44(96)66(109)45(97)8-29;86-62-41-50(45-66-71(62)103-82(99-66,54-25-9-1-10-26-54)55-27-11-2-12-28-55)77(90)94-49-70-75(96-78(91)51-42-63(87)72-67(46-51)100-83(104-72,56-29-13-3-14-30-56)57-31-15-4-16-32-57)76(97-79(92)52-43-64(88)73-68(47-52)101-84(105-73,58-33-17-5-18-34-58)59-35-19-6-20-36-59)81(95-70)98-80(93)53-44-65(89)74-69(48-53)102-85(106-74,60-37-21-7-22-38-60)61-39-23-8-24-40-61;48-44(49)32-26-39(43-40(27-32)53-47(56-43,36-22-12-4-13-23-36)37-24-14-5-15-25-37)52-45(50)33-28-38(51-30-31-16-6-1-7-17-31)42-41(29-33)54-46(55-42,34-18-8-2-9-19-34)35-20-10-3-11-21-35/h3-108,154,163-164,173H,109-111H2,1-2H3;1-24,62,75-76,89-117H,25H2;1-48,70,75-76,81,86-89H,49H2;1-29H,30H2,(H,48,49)/t154-,163-,164-,173+;62-,75-,76-,89-;70-,75-,76-,81+;/m111./s1.
What are the key properties of [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate?
[6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate has a molecular weight of 6988.46 g/mol, XLogP of 65.21, 91 rotatable bonds, 33 hydrogen bond donors, and 117 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2R,3R,4R,5S)-4,5-bis[[7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy]-3-[7-(7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxyoxolan-2-yl]methoxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-methyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[5-[2,3-dihydroxy-5-[[(2R,3R,4R,5R)-3,4,5-tris[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoyl]oxy]oxolan-2-yl]methoxycarbonyl]phenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4,5-trihydroxybenzoate;7-(2,2-diphenyl-7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;[(2R,3R,4R,5S)-3,4,5-tris[(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy]oxolan-2-yl]methyl 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate is sourced from PubChem (CID 164994980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).