Glycoside
...
GD009298

Name:
None

Formula:
C40H56O22

Smiles:
CC(C)C[C@](O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 12 FractionCSP3: 0.65
AlogP: -4.18 Num_rotatable_bonds: 18
MolWt: 888.87 Num_heavy_atoms: 62
TPSA: 350.74 NumAromaticRings: 2

Unique Aglycone
AD07301
Formula: C22H26O7

Smiles:
CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.36
AlogP: 3.05 Num_rotatable_bonds: 9
MolWt: 402.44 Num_heavy_atoms: 29
TPSA: 113.29 NumAromaticRings: 2

Sugarmoiety
SD00518

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O