Glycoside
...
GD148828

Name:
2,12-dihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-3-[2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carbonyloxy]-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Formula:
C72H110O24

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(O)C(C)(C)CCC9(C(=O)OC9OC(CO)C(O)C(O)C9O)CCC78C)C6(CO)C(=O)O)C5CCC43C)C2C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(O)C(C)(C)CCC9(C(=O)O)CCC78C)C6(CO)C(=O)O)C5CCC43C)C2C1O

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

Other Identifiers

Properties
HBA: 24 RingCount: 12
HBD: 15 FractionCSP3: 0.89
AlogP: 2.45 Num_rotatable_bonds: 10
MolWt: 1359.65 Num_heavy_atoms: 96
TPSA: 417.88 NumAromaticRings: 0

Unique Aglycone
AD59534
Formula: C60H90O14

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(O)C(C)(C)CCC9(C(=O)O)CCC78C)C6(CO)C(=O)O)C5CCC43C)C2C1O
HBA: 14 RingCount: 10
HBD: 9 FractionCSP3: 0.87
AlogP: 7.93 Num_rotatable_bonds: 6
MolWt: 1035.37 Num_heavy_atoms: 74
TPSA: 259.58 NumAromaticRings: 0

Sugarmoiety
SD00019

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