Glycoside
...
GD117108

Name:
8-{3-[1,13-dihydroxy-2,2,6a,6b,9a,13a,15b-heptamethyl-4a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1H,2H,3H,4H,4aH,5H,6H,6aH,6bH,7H,8H,8aH,9H,9aH,11H,12aH,13H,13aH,13bH,14H,15bH-piceno[2,3-d][1,3]dioxol-11-yl]-3-methylbutyl}-2,3-dihydroxy-1,4a,10a,10b-tetramethyl-8-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-1-carboxylic acid

Formula:
C72H112O22

Smiles:
CC(C)(CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(C(=O)O)C4CCC32C)C1)C1OC2C(O)C3(C)C(CCC4(C)C3CC=C3C4(C)CCC4(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC(C)(C)C(O)C34C)CC2(C)O1

Aglycone:
CC(C)(CCC1(C(=O)O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(C(=O)O)C4CCC32C)C1)C1OC2C(O)C3(C)C(CCC4(C)C3CC=C3C4(C)CCC4(C(=O)O)CCC(C)(C)C(O)C34C)CC2(C)O1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 12
HBD: 13 FractionCSP3: 0.9
AlogP: 4.85 Num_rotatable_bonds: 11
MolWt: 1329.67 Num_heavy_atoms: 94
TPSA: 369.58 NumAromaticRings: 0

Unique Aglycone
AD46642
Formula: C60H92O12

Smiles:
CC(C)(CCC1(C(=O)O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(C(=O)O)C4CCC32C)C1)C1OC2C(O)C3(C)C(CCC4(C)C3CC=C3C4(C)CCC4(C(=O)O)CCC(C)(C)C(O)C34C)CC2(C)O1
HBA: 12 RingCount: 10
HBD: 7 FractionCSP3: 0.88
AlogP: 10.33 Num_rotatable_bonds: 7
MolWt: 1005.38 Num_heavy_atoms: 72
TPSA: 211.28 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O