[(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate

C220H392O116 — CID 160859009

About [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate

[(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate (PubChem CID 160859009) has the molecular formula C220H392O116 and a molecular weight of 4893.44 g/mol. Its IUPAC name is [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
• PubChem CID: 160859009
• Molecular Formula: C220H392O116
• Molecular Weight: 4893.44 g/mol
• Exact Mass: 4890.48
• IUPAC Name: [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
• SMILES: C.CC(=O)OCC1O[C@@H](OC2[C@@H](O)[C@H](O)C(COC(C)=O)O[C@@H]2O)C(O)[C@@H](O)[C@@H]1O.CC(=O)OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O.CC(=O)OCC1O[C@@H](O[C@@H]2C(COC(C)=O)OC(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CC(=O)OCC1O[C@@H](O[C@@H]2C(COC(C)=O)OC(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CC(=O)OCC1O[C@H](OCC2OC(O)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC1O[C@H](C)C(O[C@@H]2OC(CC)[C@@H](OC(=O)CCCCCCCCC(O)CCCCCCC(C)O)[C@H](O)C2O)[C@@H](O)[C@@H]1O.CCC1O[C@H](O)C(O[C@@H]2OC(CC)[C@@H](OC(=O)CCCCCCC/C=C/CCCCCCC(C)O)[C@H](O)C2O)[C@@H](O)[C@@H]1O.CCC1O[C@H](O)C(O[C@@H]2OC(CC)[C@@H](OC(=O)CCCCCCCC(O)CCCCCCCC(C)O)[C@H](O)C2O)[C@@H](O)[C@@H]1O.CCCCCC(C=CCCCCCCCC(=O)O[C@@H]1C(CC)O[C@@H](OC2C(O)OC(CC)[C@@H](O)[C@@H]2O)C(O)[C@H]1O)C(C)O[C@@H]1OC(CC)[C@@H](O)[C@H](O)C1O[C@@H]1OC(CC)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C46H82O19.C33H62O11.C32H60O12.C32H58O11.3C16H26O13.2C14H24O12.CH4/c1-7-12-18-21-25(24(6)58-46-42(36(53)33(50)28(10-4)61-46)65-44-38(55)34(51)31(48)27(9-3)60-44)22-19-16-14-13-15-17-20-23-30(47)63-40-29(11-5)62-45(39(56)37(40)54)64-41-35(52)32(49)26(8-2)59-43(41)57;1-5-24-27(37)28(38)31(22(4)41-24)44-33-30(40)29(39)32(25(6-2)42-33)43-26(36)20-16-10-8-7-9-14-18-23(35)19-15-12-11-13-17-21(3)34;1-4-22-25(36)26(37)30(31(40)41-22)44-32-28(39)27(38)29(23(5-2)42-32)43-24(35)19-15-11-7-10-14-18-21(34)17-13-9-6-8-12-16-20(3)33;1-4-22-25(35)26(36)30(31(39)40-22)43-32-28(38)27(37)29(23(5-2)41-32)42-24(34)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21(3)33;1-5(17)25-3-7-10(20)12(22)14(15(24)27-7)29-16-13(23)11(21)9(19)8(28-16)4-26-6(2)18;2*1-5(17)25-3-7-9(19)10(20)13(23)16(28-7)29-14-8(4-26-6(2)18)27-15(24)12(22)11(14)21;1-4(15)23-2-6-8(17)10(19)12(21)14(26-6)24-3-5-7(16)9(18)11(20)13(22)25-5;1-4(16)23-3-6-7(17)8(18)11(21)14(25-6)26-12-5(2-15)24-13(22)10(20)9(12)19;/h19,22,24-29,31-46,48-57H,7-18,20-21,23H2,1-6H3;21-25,27-35,37-40H,5-20H2,1-4H3;20-23,25-34,36-40H,4-19H2,1-3H3;6-7,21-23,25-33,35-39H,4-5,8-20H2,1-3H3;3*7-16,19-24H,3-4H2,1-2H3;5-14,16-22H,2-3H2,1H3;5-15,17-22H,2-3H2,1H3;1H4/b;;;7-6+;;;;;;/t24?,25?,26?,27?,28?,29?,31-,32-,33-,34+,35+,36+,37-,38?,39?,40-,41?,42?,43?,44+,45+,46-;21?,22-,23?,24?,25?,27-,28+,29-,30?,31?,32-,33+;20?,21?,22?,23?,25-,26+,27-,28?,29-,30?,31+,32+;21?,22?,23?,25-,26+,27-,28?,29-,30?,31+,32+;7?,8?,9-,10-,11+,12+,13?,14?,15+,16+;2*7?,8?,9-,10+,11-,12?,13?,14-,15?,16+;5?,6?,7-,8-,9+,10+,11?,12?,13?,14+;5?,6?,7-,8-,9+,10?,11?,12+,13?,14-;/m111111110./s1
• InChIKey: SKFVAWFLRMCXAD-LQFHVJOCSA-N
• XLogP: -11.99
• TPSA: 1835.76 Ų
• H-Bond Donors: 61
• H-Bond Acceptors: 116
• Rotatable Bonds: 115
• Heavy Atoms: 336
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4893.44
LogP ≤ 5	-11.99
H-Bond Donors ≤ 5	61
H-Bond Acceptors ≤ 10	116

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate?

The IUPAC name of [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate (CID 160859009) is [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate is C.CC(=O)OCC1O[C@@H](OC2[C@@H](O)[C@H](O)C(COC(C)=O)O[C@@H]2O)C(O)[C@@H](O)[C@@H]1O.CC(=O)OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O.CC(=O)OCC1O[C@@H](O[C@@H]2C(COC(C)=O)OC(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CC(=O)OCC1O[C@@H](O[C@@H]2C(COC(C)=O)OC(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.CC(=O)OCC1O[C@H](OCC2OC(O)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O.CCC1O[C@H](C)C(O[C@@H]2OC(CC)[C@@H](OC(=O)CCCCCCCCC(O)CCCCCCC(C)O)[C@H](O)C2O)[C@@H](O)[C@@H]1O.CCC1O[C@H](O)C(O[C@@H]2OC(CC)[C@@H](OC(=O)CCCCCCC/C=C/CCCCCCC(C)O)[C@H](O)C2O)[C@@H](O)[C@@H]1O.CCC1O[C@H](O)C(O[C@@H]2OC(CC)[C@@H](OC(=O)CCCCCCCC(O)CCCCCCCC(C)O)[C@H](O)C2O)[C@@H](O)[C@@H]1O.CCCCCC(C=CCCCCCCCC(=O)O[C@@H]1C(CC)O[C@@H](OC2C(O)OC(CC)[C@@H](O)[C@@H]2O)C(O)[C@H]1O)C(C)O[C@@H]1OC(CC)[C@@H](O)[C@H](O)C1O[C@@H]1OC(CC)[C@@H](O)[C@H](O)C1O.

What is the InChIKey of [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate?

The InChIKey is SKFVAWFLRMCXAD-LQFHVJOCSA-N. The full InChI is InChI=1S/C46H82O19.C33H62O11.C32H60O12.C32H58O11.3C16H26O13.2C14H24O12.CH4/c1-7-12-18-21-25(24(6)58-46-42(36(53)33(50)28(10-4)61-46)65-44-38(55)34(51)31(48)27(9-3)60-44)22-19-16-14-13-15-17-20-23-30(47)63-40-29(11-5)62-45(39(56)37(40)54)64-41-35(52)32(49)26(8-2)59-43(41)57;1-5-24-27(37)28(38)31(22(4)41-24)44-33-30(40)29(39)32(25(6-2)42-33)43-26(36)20-16-10-8-7-9-14-18-23(35)19-15-12-11-13-17-21(3)34;1-4-22-25(36)26(37)30(31(40)41-22)44-32-28(39)27(38)29(23(5-2)42-32)43-24(35)19-15-11-7-10-14-18-21(34)17-13-9-6-8-12-16-20(3)33;1-4-22-25(35)26(36)30(31(39)40-22)43-32-28(38)27(37)29(23(5-2)41-32)42-24(34)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21(3)33;1-5(17)25-3-7-10(20)12(22)14(15(24)27-7)29-16-13(23)11(21)9(19)8(28-16)4-26-6(2)18;2*1-5(17)25-3-7-9(19)10(20)13(23)16(28-7)29-14-8(4-26-6(2)18)27-15(24)12(22)11(14)21;1-4(15)23-2-6-8(17)10(19)12(21)14(26-6)24-3-5-7(16)9(18)11(20)13(22)25-5;1-4(16)23-3-6-7(17)8(18)11(21)14(25-6)26-12-5(2-15)24-13(22)10(20)9(12)19;/h19,22,24-29,31-46,48-57H,7-18,20-21,23H2,1-6H3;21-25,27-35,37-40H,5-20H2,1-4H3;20-23,25-34,36-40H,4-19H2,1-3H3;6-7,21-23,25-33,35-39H,4-5,8-20H2,1-3H3;3*7-16,19-24H,3-4H2,1-2H3;5-14,16-22H,2-3H2,1H3;5-15,17-22H,2-3H2,1H3;1H4/b;;;7-6+;;;;;;/t24?,25?,26?,27?,28?,29?,31-,32-,33-,34+,35+,36+,37-,38?,39?,40-,41?,42?,43?,44+,45+,46-;21?,22-,23?,24?,25?,27-,28+,29-,30?,31?,32-,33+;20?,21?,22?,23?,25-,26+,27-,28?,29-,30?,31+,32+;21?,22?,23?,25-,26+,27-,28?,29-,30?,31+,32+;7?,8?,9-,10-,11+,12+,13?,14?,15+,16+;2*7?,8?,9-,10+,11-,12?,13?,14-,15?,16+;5?,6?,7-,8-,9+,10+,11?,12?,13?,14+;5?,6?,7-,8-,9+,10?,11?,12+,13?,14-;/m111111110./s1.

What are the key properties of [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate?

[(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate has a molecular weight of 4893.44 g/mol, XLogP of -11.99, 115 rotatable bonds, 61 hydrogen bond donors, and 116 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4S,6S)-5-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate;bis([(3S,4S,6S)-6-[(3S,4R)-2-(acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate);[(3S,4R,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 10,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 9,17-dihydroxyoctadecanoate;[(3S,4R,6S)-2-ethyl-6-[(4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 11-[1-[(2R,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyethyl]hexadec-9-enoate;[(3S,4R,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-17-hydroxyoctadec-9-enoate;methane;[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(3S,4S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate;[(3R,4S,6S)-3,4,5-trihydroxy-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 160859009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).