Glycoside
...
GD013029

Name:
ERYCIBOSIDE F

Formula:
C31H36O18

Smiles:
COc1cc(C(=O)OC[C@]2(O)CO[C@H](OC[C@@H]3O[C@H](Oc4c(OC)cc5ccc(=O)oc5c4OC)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc(OC)c1O

Aglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc2ccc(=O)oc2c(OC)c1O

Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 6 FractionCSP3: 0.48
AlogP: -0.96 Num_rotatable_bonds: 12
MolWt: 696.61 Num_heavy_atoms: 49
TPSA: 251.73 NumAromaticRings: 3

Unique Aglycone
AD00094
Formula: C10H12O5

Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.2 Num_rotatable_bonds: 3
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 64.99 NumAromaticRings: 1
AD09776
Formula: C11H10O5

Smiles:
COc1cc2ccc(=O)oc2c(OC)c1O
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: 1.52 Num_rotatable_bonds: 2
MolWt: 222.2 Num_heavy_atoms: 16
TPSA: 68.9 NumAromaticRings: 2

Sugarmoiety
SD00940

OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1O