Glycoside
...
GD097664

Name:
None

Formula:
C19H25O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc(=O)n(C)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1cc(N)cnc1=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.58
AlogP: -0.72 Num_rotatable_bonds: 7
MolWt: 455.42 Num_heavy_atoms: 32
TPSA: 161.35 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
AD41581
Formula: C5H7ON3

Smiles:
Cn1cc(N)cnc1=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: -0.64 Num_rotatable_bonds: 0
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 60.91 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O