(3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

C65H112O51 — CID 91857333

IUPAC(3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
SMILESCOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)C6O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7[C@@H](O)[C@@H](OC[C@H]8OC(O)[C@H](O)[C@@H](O)[C@@H]8O)O[C@H](CO)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)O[C@@H]6CO)O[C@@H]5COC)O[C@@H]4COC)O[C@@H]3COC)O[C@@H]2COC)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C65H112O51/c1-93-10-20-28(72)33(77)41(85)60(104-20)110-49-22(11-94-2)105-62(43(87)35(49)79)111-50-23(12-95-3)106-63(44(88)36(50)80)112-51-24(13-96-4)107-64(45(89)37(51)81)114-53-25(14-97-5)108-65(47(91)55(53)116-59-40(84)32(76)27(71)17(7-67)101-59)109-48-18(8-68)103-61(42(86)34(48)78)115-54-46(90)57(98-15-21-29(73)30(74)38(82)56(92)99-21)102-19(9-69)52(54)113-58-39(83)31(75)26(70)16(6-66)100-58/h16-92H,6-15H2,1-5H3/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56?,57+,58+,59-,60-,61+,62-,63-,64-,65-/m1/s1
InChIKeyIEJYXXAMIHJPHY-CRKAZZGOSA-N
MW1709.56 g/mol
LogP-19.53
Rot. Bonds33

About (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

(3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 91857333) has the molecular formula C65H112O51 and a molecular weight of 1709.56 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
PubChem CID91857333
Molecular FormulaC65H112O51
Molecular Weight1709.56 g/mol
Exact Mass1708.62
IUPAC Name(3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
SMILESCOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)C6O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7[C@@H](O)[C@@H](OC[C@H]8OC(O)[C@H](O)[C@@H](O)[C@@H]8O)O[C@H](CO)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)O[C@@H]6CO)O[C@@H]5COC)O[C@@H]4COC)O[C@@H]3COC)O[C@@H]2COC)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C65H112O51/c1-93-10-20-28(72)33(77)41(85)60(104-20)110-49-22(11-94-2)105-62(43(87)35(49)79)111-50-23(12-95-3)106-63(44(88)36(50)80)112-51-24(13-96-4)107-64(45(89)37(51)81)114-53-25(14-97-5)108-65(47(91)55(53)116-59-40(84)32(76)27(71)17(7-67)101-59)109-48-18(8-68)103-61(42(86)34(48)78)115-54-46(90)57(98-15-21-29(73)30(74)38(82)56(92)99-21)102-19(9-69)52(54)113-58-39(83)31(75)26(70)16(6-66)100-58/h16-92H,6-15H2,1-5H3/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56?,57+,58+,59-,60-,61+,62-,63-,64-,65-/m1/s1
InChIKeyIEJYXXAMIHJPHY-CRKAZZGOSA-N
XLogP-19.53
TPSA767.73 Ų
H-Bond Donors27
H-Bond Acceptors51
Rotatable Bonds33
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001709.56
LogP ≤ 5-19.53
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1051

Analyze (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol with MolForge

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Launch Full Analysis

Related Compounds

(4R,5S)-5-[(2R,4R,5S)-5-[(2R,4S,5S)-6-[[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 157421087
(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
CID 171122578
(3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-4-[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3-hydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
CID 134160309
(3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 91853777
(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 162916787
(2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171933431
(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171933425
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91825602
(3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 11134932
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91853304
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 156616801
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5S)-3-[(2S,3S,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91849527

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 91857333) is (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)C6O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7[C@@H](O)[C@@H](OC[C@H]8OC(O)[C@H](O)[C@@H](O)[C@@H]8O)O[C@H](CO)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)O[C@@H]6CO)O[C@@H]5COC)O[C@@H]4COC)O[C@@H]3COC)O[C@@H]2COC)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?
The InChIKey is IEJYXXAMIHJPHY-CRKAZZGOSA-N. The full InChI is InChI=1S/C65H112O51/c1-93-10-20-28(72)33(77)41(85)60(104-20)110-49-22(11-94-2)105-62(43(87)35(49)79)111-50-23(12-95-3)106-63(44(88)36(50)80)112-51-24(13-96-4)107-64(45(89)37(51)81)114-53-25(14-97-5)108-65(47(91)55(53)116-59-40(84)32(76)27(71)17(7-67)101-59)109-48-18(8-68)103-61(42(86)34(48)78)115-54-46(90)57(98-15-21-29(73)30(74)38(82)56(92)99-21)102-19(9-69)52(54)113-58-39(83)31(75)26(70)16(6-66)100-58/h16-92H,6-15H2,1-5H3/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56?,57+,58+,59-,60-,61+,62-,63-,64-,65-/m1/s1.
What are the key properties of (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 1709.56 g/mol, XLogP of -19.53, 33 rotatable bonds, 27 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-[[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(methoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 91857333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).