Glycoside
...
GD093652

Name:
None

Formula:
C16H18O10N6

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2c([N+](=O)[O-])nc3c(=O)[nH]c(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nc2c(c(=O)[nH]1)N=C([N+](=O)[O-])[N]2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: -1.07 Num_rotatable_bonds: 6
MolWt: 454.35 Num_heavy_atoms: 32
TPSA: 220.86 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
AD40439
Formula: C5H3O3N6

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C([N+](=O)[O-])[N]2
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -1.13 Num_rotatable_bonds: 0
MolWt: 195.12 Num_heavy_atoms: 14
TPSA: 141.37 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O