Glycoside
...
GD101409

Name:
None

Formula:
C21H27O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(C)c3nnn(C)c3n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc(N)nc2c1nnn2C

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.57
AlogP: 0.17 Num_rotatable_bonds: 7
MolWt: 493.47 Num_heavy_atoms: 35
TPSA: 170.06 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
AD28405
Formula: C7H9N5

Smiles:
Cc1cc(N)nc2c1nnn2C
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 0.25 Num_rotatable_bonds: 0
MolWt: 163.18 Num_heavy_atoms: 12
TPSA: 69.62 NumAromaticRings: 2

Sugarmoiety
SD00889

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