Glycoside
...
GD021792

Name:
None

Formula:
C25H27O13N

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCc2cc(-c3ccc4c(c3)OCO4)no2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.OCc1cc(-c2ccc3c(c2)OCO3)no1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 0 FractionCSP3: 0.48
AlogP: 1.67 Num_rotatable_bonds: 9
MolWt: 549.49 Num_heavy_atoms: 39
TPSA: 168.15 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
AD14842
Formula: C11H9O4N

Smiles:
OCc1cc(-c2ccc3c(c2)OCO3)no1
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.18
AlogP: 1.56 Num_rotatable_bonds: 2
MolWt: 219.2 Num_heavy_atoms: 16
TPSA: 64.72 NumAromaticRings: 2

Sugarmoiety
SD00012

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