Glycoside
...
GD021301

Name:
Octa-O-Acetylhyperoside

Formula:
C37H36O20

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 0 FractionCSP3: 0.38
AlogP: 2.62 Num_rotatable_bonds: 12
MolWt: 800.68 Num_heavy_atoms: 57
TPSA: 259.07 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD14588
Formula: C23H18O11

Smiles:
CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.17
AlogP: 2.87 Num_rotatable_bonds: 5
MolWt: 470.39 Num_heavy_atoms: 34
TPSA: 155.64 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O