Glycoside
...
GD096579

Name:
None

Formula:
C20H25O11N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccnc2CC(=O)O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nccnc1CC(=O)O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.55
AlogP: -0.4 Num_rotatable_bonds: 9
MolWt: 483.43 Num_heavy_atoms: 34
TPSA: 189.54 NumAromaticRings: 1

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
AD41063
Formula: C6H7O2N3

Smiles:
Nc1nccnc1CC(=O)O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.17
AlogP: -0.31 Num_rotatable_bonds: 2
MolWt: 153.14 Num_heavy_atoms: 11
TPSA: 89.1 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O