Glycoside
...
GD100386

Name:
None

Formula:
C21H31O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(NC(C)C)cc[nH+]2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(C)Nc1cc[nH+]c(N)n1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 3 FractionCSP3: 0.62
AlogP: 0.21 Num_rotatable_bonds: 9
MolWt: 483.5 Num_heavy_atoms: 34
TPSA: 165.52 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
AD42419
Formula: C7H13N4

Smiles:
CC(C)Nc1cc[nH+]c(N)n1
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 0.43
AlogP: 0.3 Num_rotatable_bonds: 2
MolWt: 153.21 Num_heavy_atoms: 11
TPSA: 65.08 NumAromaticRings: 1

Sugarmoiety
SD00889

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