(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

C93H148O43 — CID 174179126

About (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid (PubChem CID 174179126) has the molecular formula C93H148O43 and a molecular weight of 1954.16 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
• PubChem CID: 174179126
• Molecular Formula: C93H148O43
• Molecular Weight: 1954.16 g/mol
• Exact Mass: 1952.94
• IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
• SMILES: CC[C@H](C)[C@H](C[C@H](O)CC(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@H]7C[C@@H](O)[C@H](O)CO7)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O)OC(=O)C[C@@H](O)C[C@@H]1O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O[C@H]2C[C@H](CC[C@@H]1C)[C@@H](O)[C@H](C)O2
• InChI: InChI=1S/C93H148O43/c1-13-37(2)50(124-58(103)27-44(98)26-51-38(3)14-15-42-24-61(121-39(4)62(42)105)131-77-66(109)53(33-95)127-84(77)125-51)25-43(97)28-59(104)129-74-63(106)40(5)122-85(78(74)134-82-71(114)68(111)73(41(6)123-82)132-81-69(112)64(107)49(101)35-120-81)136-87(118)93-23-22-88(7,8)30-46(93)45-16-17-55-89(9)20-19-57(90(10,36-96)54(89)18-21-91(55,11)92(45,12)31-56(93)102)128-86-79(135-83-70(113)67(110)65(108)52(32-94)126-83)75(72(115)76(133-86)80(116)117)130-60-29-47(99)48(100)34-119-60/h16,36-44,46-57,60-79,81-86,94-95,97-102,105-115H,13-15,17-35H2,1-12H3,(H,116,117)/t37-,38-,39-,40+,41-,42-,43-,44-,46-,47+,48+,49+,50-,51-,52+,53-,54+,55+,56+,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72-,73-,74-,75-,76-,77+,78+,79+,81-,82-,83-,84+,85-,86+,89-,90-,91+,92+,93+/m0/s1
• InChIKey: IZOJIPWPDRTUOX-AJVFCZFRSA-N
• XLogP: -2.60
• TPSA: 656.09 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.16
LogP ≤ 5	-2.60
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'saponine_derivative', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid (CID 174179126) is (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid is CC[C@H](C)[C@H](C[C@H](O)CC(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@H]7C[C@@H](O)[C@H](O)CO7)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O)OC(=O)C[C@@H](O)C[C@@H]1O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O[C@H]2C[C@H](CC[C@@H]1C)[C@@H](O)[C@H](C)O2.

What is the InChIKey of (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid?

The InChIKey is IZOJIPWPDRTUOX-AJVFCZFRSA-N. The full InChI is InChI=1S/C93H148O43/c1-13-37(2)50(124-58(103)27-44(98)26-51-38(3)14-15-42-24-61(121-39(4)62(42)105)131-77-66(109)53(33-95)127-84(77)125-51)25-43(97)28-59(104)129-74-63(106)40(5)122-85(78(74)134-82-71(114)68(111)73(41(6)123-82)132-81-69(112)64(107)49(101)35-120-81)136-87(118)93-23-22-88(7,8)30-46(93)45-16-17-55-89(9)20-19-57(90(10,36-96)54(89)18-21-91(55,11)92(45,12)31-56(93)102)128-86-79(135-83-70(113)67(110)65(108)52(32-94)126-83)75(72(115)76(133-86)80(116)117)130-60-29-47(99)48(100)34-119-60/h16,36-44,46-57,60-79,81-86,94-95,97-102,105-115H,13-15,17-35H2,1-12H3,(H,116,117)/t37-,38-,39-,40+,41-,42-,43-,44-,46-,47+,48+,49+,50-,51-,52+,53-,54+,55+,56+,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72-,73-,74-,75-,76-,77+,78+,79+,81-,82-,83-,84+,85-,86+,89-,90-,91+,92+,93+/m0/s1.

What are the key properties of (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid?

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid has a molecular weight of 1954.16 g/mol, XLogP of -2.60, 28 rotatable bonds, 20 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(3S,5S,6S)-5-[(3S)-4-[(1S,3R,4S,5S,7R,9S,10S,13S,14R,15S)-4,14-dihydroxy-5-(hydroxymethyl)-10,15-dimethyl-2,6,8,16-tetraoxatricyclo[11.3.1.03,7]heptadecan-9-yl]-3-hydroxybutanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,4R,5R)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid is sourced from PubChem (CID 174179126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).