Glycoside
...
GD000081

Name:
10-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a,6a-dicarboxylic acid

Formula:
C42H66O14

Smiles:
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12

Aglycone:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.9
AlogP: 2.83 Num_rotatable_bonds: 7
MolWt: 794.98 Num_heavy_atoms: 56
TPSA: 232.9 NumAromaticRings: 0

Unique Aglycone
AD00107
Formula: C30H46O5

Smiles:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 6.15 Num_rotatable_bonds: 2
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD00046

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O