Glycoside
...
GD015522

Name:
None

Formula:
C51H70O21

Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(COC(=O)[C@H](CC(=O)O)C[C@@H]6c7c(cc(O)c(O)c7O)C(=O)O[C@H]6C(=O)O)[C@H]5CC[C@]43C)[C@H]2[C@H]1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)C(CC(=O)O)CC6c7c(cc(O)c(O)c7O)C(=O)OC6C(=O)O)C5CCC43C)C2C1O

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.75
AlogP: 1.96 Num_rotatable_bonds: 11
MolWt: 1019.1 Num_heavy_atoms: 72
TPSA: 365.03 NumAromaticRings: 1

Unique Aglycone
AD11266
Formula: C45H60O16

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)C(CC(=O)O)CC6c7c(cc(O)c(O)c7O)C(=O)OC6C(=O)O)C5CCC43C)C2C1O
HBA: 16 RingCount: 7
HBD: 9 FractionCSP3: 0.71
AlogP: 4.7 Num_rotatable_bonds: 9
MolWt: 856.96 Num_heavy_atoms: 61
TPSA: 285.88 NumAromaticRings: 1

Sugarmoiety
SD00003

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