Glycoside
...
GD145023

Name:
Alhagidin

Formula:
C34H44O20

Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc3O2)cc1O

Aglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O

Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 11 FractionCSP3: 0.62
AlogP: -3.33 Num_rotatable_bonds: 10
MolWt: 772.71 Num_heavy_atoms: 54
TPSA: 313.44 NumAromaticRings: 2

Unique Aglycone
AD03897
Formula: C16H14O6

Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.19
AlogP: 2.52 Num_rotatable_bonds: 2
MolWt: 302.28 Num_heavy_atoms: 22
TPSA: 96.22 NumAromaticRings: 2

Sugarmoiety
SD01596

CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O