Glycoside
...
GD097502

Name:
None

Formula:
C21H27O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccc(C)c2C(N)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccnc(N)c1C(N)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 3 FractionCSP3: 0.52
AlogP: -0.02 Num_rotatable_bonds: 8
MolWt: 481.46 Num_heavy_atoms: 34
TPSA: 182.44 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
AD41470
Formula: C7H9ON3

Smiles:
Cc1ccnc(N)c1C(N)=O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 0.14
AlogP: 0.07 Num_rotatable_bonds: 1
MolWt: 151.17 Num_heavy_atoms: 11
TPSA: 82.0 NumAromaticRings: 1

Sugarmoiety
SD00889

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