Glycoside
...
GD125664

Name:
8-{3-[12,16-dihydroxy-4a,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-2H,4H,4aH,4bH,5H,6H,6aH,6bH,7H,8H,8aH,9H,10H,11H,12H,12aH,14H,14aH,14bH,15H,16H,16aH-piceno[3,4-d][1,3]dioxin-2-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)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(O)C(C)(C)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC12C

Aglycone:
CC(C)(CCC1(C(=O)O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(C(=O)O)C4CCC32C)C1)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(O)C(C)(C)CCC3(C(=O)O)CCC12C

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: 4.71 Num_rotatable_bonds: 11
MolWt: 1329.67 Num_heavy_atoms: 94
TPSA: 369.58 NumAromaticRings: 0

Unique Aglycone
AD50831
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)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(O)C(C)(C)CCC3(C(=O)O)CCC12C
HBA: 12 RingCount: 10
HBD: 7 FractionCSP3: 0.88
AlogP: 10.19 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