Glycoside
...
GD096138

Name:
None

Formula:
C20H26O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc3c(n2)CNC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ncc2c(n1)CNC2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.6
AlogP: -0.43 Num_rotatable_bonds: 7
MolWt: 466.45 Num_heavy_atoms: 33
TPSA: 164.27 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
AD40893
Formula: C6H8N4

Smiles:
Nc1ncc2c(n1)CNC2
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.34 Num_rotatable_bonds: 0
MolWt: 136.16 Num_heavy_atoms: 10
TPSA: 63.83 NumAromaticRings: 1

Sugarmoiety
SD00889

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