Glycoside
...
GD133409

Name:
2,12-dihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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:
C42H66O18

Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(CO)(C(=O)O)C5CCC43C)C2C1(C)O

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1(C)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 12 FractionCSP3: 0.9
AlogP: -1.7 Num_rotatable_bonds: 8
MolWt: 858.97 Num_heavy_atoms: 60
TPSA: 313.82 NumAromaticRings: 0

Unique Aglycone
AD47186
Formula: C30H46O8

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1(C)O
HBA: 8 RingCount: 5
HBD: 6 FractionCSP3: 0.87
AlogP: 3.21 Num_rotatable_bonds: 3
MolWt: 534.69 Num_heavy_atoms: 38
TPSA: 155.52 NumAromaticRings: 0

Sugarmoiety
SD00019

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