Glycoside
...
GD029747

Name:
None

Formula:
C17H20O8N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cnc(C(N)=O)c2CC#N)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.N#CCC1=C(C(N)=O)N=C[N]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.53
AlogP: -0.63 Num_rotatable_bonds: 7
MolWt: 408.37 Num_heavy_atoms: 29
TPSA: 172.83 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
AD06673
Formula: C6H5ON4

Smiles:
N#CCC1=C(C(N)=O)N=C[N]1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: -0.76 Num_rotatable_bonds: 2
MolWt: 149.13 Num_heavy_atoms: 11
TPSA: 93.34 NumAromaticRings: 0

Sugarmoiety
SD00105

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