Glycoside
...
GD083775

Name:
None

Formula:
C16H18O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC#N)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.N#CNc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: -1.25 Num_rotatable_bonds: 6
MolWt: 410.34 Num_heavy_atoms: 29
TPSA: 178.81 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
AD37352
Formula: C5H4O2N4

Smiles:
N#CNc1c[nH]c(=O)[nH]c1=O
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -1.04 Num_rotatable_bonds: 1
MolWt: 152.11 Num_heavy_atoms: 11
TPSA: 101.54 NumAromaticRings: 1

Sugarmoiety
SD00105

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