Glycoside
...
GD101530

Name:
None

Formula:
C21H25O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccccc2-c2nn[nH]n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ccccc1-c1nn[nH]n1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 0.36 Num_rotatable_bonds: 8
MolWt: 491.46 Num_heavy_atoms: 35
TPSA: 180.92 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
AD42979
Formula: C7H7N5

Smiles:
Nc1ccccc1-c1nn[nH]n1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 0.45 Num_rotatable_bonds: 1
MolWt: 161.17 Num_heavy_atoms: 12
TPSA: 80.48 NumAromaticRings: 2

Sugarmoiety
SD00889

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