Glycoside
...
GD035317

Name:
None

Formula:
C36H44O20

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1

Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 9 FractionCSP3: 0.56
AlogP: -2.4 Num_rotatable_bonds: 11
MolWt: 796.73 Num_heavy_atoms: 56
TPSA: 303.19 NumAromaticRings: 3

Unique Aglycone
AD02166
Formula: C16H12O5

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.06
AlogP: 2.88 Num_rotatable_bonds: 2
MolWt: 284.27 Num_heavy_atoms: 21
TPSA: 79.9 NumAromaticRings: 3

Sugarmoiety
SD03207

CC(=O)OC1C(C)OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O