Glycoside
...
GD101441

Name:
None

Formula:
C20H24O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cccc3ncnn23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1cccc2ncnn12

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 0.22 Num_rotatable_bonds: 7
MolWt: 464.43 Num_heavy_atoms: 33
TPSA: 156.65 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
AD42942
Formula: C6H6N4

Smiles:
Nc1cccc2ncnn12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.31 Num_rotatable_bonds: 0
MolWt: 134.14 Num_heavy_atoms: 10
TPSA: 56.21 NumAromaticRings: 2

Sugarmoiety
SD00889

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