Glycoside
...
GD017771

Name:
None

Formula:
C15H18O9N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](N2N=CC(=O)CC2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1C=NNC(=O)C1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.6
AlogP: -1.07 Num_rotatable_bonds: 5
MolWt: 370.31 Num_heavy_atoms: 26
TPSA: 137.87 NumAromaticRings: 0

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
AD00246
Formula: C4H4O2N2

Smiles:
O=C1C=NNC(=O)C1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 58.53 NumAromaticRings: 0

Sugarmoiety
SD00105

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