Glycoside
...
GD027859

Name:
None

Formula:
C22H25O11N3

Smiles:
CC(=O)OCC1OC(Nn2c(=O)[nH]c3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.Nn1c(=O)[nH]c2ccccc2c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: -0.68 Num_rotatable_bonds: 7
MolWt: 507.45 Num_heavy_atoms: 36
TPSA: 181.32 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
AD13045
Formula: C8H7O2N3

Smiles:
Nn1c(=O)[nH]c2ccccc2c1=O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.6 Num_rotatable_bonds: 0
MolWt: 177.16 Num_heavy_atoms: 13
TPSA: 80.88 NumAromaticRings: 2

Sugarmoiety
SD00012

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