Glycoside
...
GD020525

Name:
None

Formula:
C23H23O11N

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ccc(O)c(-c3ccc4c(c3)OCO4)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]ccc(O)c1-c1ccc2c(c1)OCO2

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 1 FractionCSP3: 0.39
AlogP: 1.27 Num_rotatable_bonds: 6
MolWt: 489.43 Num_heavy_atoms: 35
TPSA: 148.82 NumAromaticRings: 2

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
AD08039
Formula: C12H9O4N

Smiles:
O=c1[nH]ccc(O)c1-c1ccc2c(c1)OCO2
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.08
AlogP: 1.48 Num_rotatable_bonds: 1
MolWt: 231.21 Num_heavy_atoms: 17
TPSA: 71.55 NumAromaticRings: 2

Sugarmoiety
SD00105

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