Glycoside
...
GD100143

Name:
Acetylglycitin

Formula:
C24H24O11

Smiles:
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(C)=O.COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.33
AlogP: 0.92 Num_rotatable_bonds: 6
MolWt: 488.45 Num_heavy_atoms: 35
TPSA: 165.12 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
AD11999
Formula: C16H12O5

Smiles:
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O
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
SD00017

OC1OC(O)C(O)C(O)C1O