(2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid

C92H148O42 — CID 174178357

About (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid

(2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid (PubChem CID 174178357) has the molecular formula C92H148O42 and a molecular weight of 1926.15 g/mol. Its IUPAC name is (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid
• PubChem CID: 174178357
• Molecular Formula: C92H148O42
• Molecular Weight: 1926.15 g/mol
• Exact Mass: 1924.94
• IUPAC Name: (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-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=CCC4[C@@]5(C)CC[C@H](O[C@H]6C[C@@H](O[C@H]7C[C@@H](O)[C@H](O)CO7)[C@H](O)[C@@H](C(=O)O)O6)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@H](CO)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)OC(=O)C[C@@H](O)C[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)[C@@H](C)CC
• InChI: InChI=1S/C92H148O42/c1-13-39(3)51(122-59(102)27-45(98)26-52(40(4)14-2)124-82-69(110)66(107)55(34-95)125-82)25-44(97)28-60(103)128-75-63(104)41(5)120-85(78(75)133-84-72(113)76(132-83-70(111)68(109)65(106)54(33-94)126-83)73(42(6)121-84)130-81-71(112)74(50(101)37-119-81)131-80-64(105)43(32-93)35-118-80)134-86(116)92-23-21-87(7,8)31-47(92)46-15-16-57-88(9)19-18-58(89(10,38-96)56(88)17-20-91(57,12)90(46,11)22-24-92)127-62-30-53(67(108)77(129-62)79(114)115)123-61-29-48(99)49(100)36-117-61/h15,38-45,47-58,61-78,80-85,93-95,97-101,104-113H,13-14,16-37H2,1-12H3,(H,114,115)/t39-,40-,41+,42-,43-,44-,45-,47-,48+,49+,50+,51-,52-,53+,54+,55-,56+,57?,58-,61-,62+,63-,64+,65+,66-,67-,68-,69+,70+,71+,72+,73-,74-,75-,76-,77-,78+,80-,81-,82+,83-,84-,85-,88-,89-,90+,91+,92-/m0/s1
• InChIKey: RUUZGJMCLKYXAZ-OYUZEMRLSA-N
• XLogP: -1.71
• TPSA: 635.86 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 41
• Rotatable Bonds: 35
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.15
LogP ≤ 5	-1.71
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	41

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,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid (CID 174178357) is (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-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=CCC4[C@@]5(C)CC[C@H](O[C@H]6C[C@@H](O[C@H]7C[C@@H](O)[C@H](O)CO7)[C@H](O)[C@@H](C(=O)O)O6)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@H](CO)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)OC(=O)C[C@@H](O)C[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)[C@@H](C)CC.

What is the InChIKey of (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid?

The InChIKey is RUUZGJMCLKYXAZ-OYUZEMRLSA-N. The full InChI is InChI=1S/C92H148O42/c1-13-39(3)51(122-59(102)27-45(98)26-52(40(4)14-2)124-82-69(110)66(107)55(34-95)125-82)25-44(97)28-60(103)128-75-63(104)41(5)120-85(78(75)133-84-72(113)76(132-83-70(111)68(109)65(106)54(33-94)126-83)73(42(6)121-84)130-81-71(112)74(50(101)37-119-81)131-80-64(105)43(32-93)35-118-80)134-86(116)92-23-21-87(7,8)31-47(92)46-15-16-57-88(9)19-18-58(89(10,38-96)56(88)17-20-91(57,12)90(46,11)22-24-92)127-62-30-53(67(108)77(129-62)79(114)115)123-61-29-48(99)49(100)36-117-61/h15,38-45,47-58,61-78,80-85,93-95,97-101,104-113H,13-14,16-37H2,1-12H3,(H,114,115)/t39-,40-,41+,42-,43-,44-,45-,47-,48+,49+,50+,51-,52-,53+,54+,55-,56+,57?,58-,61-,62+,63-,64+,65+,66-,67-,68-,69+,70+,71+,72+,73-,74-,75-,76-,77-,78+,80-,81-,82+,83-,84-,85-,88-,89-,90+,91+,92-/m0/s1.

What are the key properties of (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid?

(2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid has a molecular weight of 1926.15 g/mol, XLogP of -1.71, 35 rotatable bonds, 19 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(3S,5S,6S)-5-[(3S,5S,6S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-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-hydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 174178357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).