Glycoside
...
GD067783

Name:
None

Formula:
C15H19O6N4

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2ccc3c(N)[nH+]cnc32)[C@@H](O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1[nH+]cnc2c1C=C[N]2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.47
AlogP: -0.81 Num_rotatable_bonds: 4
MolWt: 351.34 Num_heavy_atoms: 25
TPSA: 140.04 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
AD24858
Formula: C6H6N4

Smiles:
Nc1[nH+]cnc2c1C=C[N]2
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.3 Num_rotatable_bonds: 0
MolWt: 134.14 Num_heavy_atoms: 10
TPSA: 67.15 NumAromaticRings: 1

Sugarmoiety
SD00772

CC(=O)OC1C(O)OC(O)C1O