Glycoside
...
GD101446

Name:
None

Formula:
C21H26O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc3c(ccn3C)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1ccc2nc(N)ncc21

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.52
AlogP: 0.46 Num_rotatable_bonds: 7
MolWt: 478.46 Num_heavy_atoms: 34
TPSA: 157.17 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
AD25640
Formula: C7H8N4

Smiles:
Cn1ccc2nc(N)ncc21
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: 0.55 Num_rotatable_bonds: 0
MolWt: 148.17 Num_heavy_atoms: 11
TPSA: 56.73 NumAromaticRings: 2

Sugarmoiety
SD00889

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