Glycoside
...
GD097617

Name:
None

Formula:
C21H25O11N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccc3c2OCC(=O)N3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nccc2c1OCC(=O)N2

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.52
AlogP: -0.09 Num_rotatable_bonds: 7
MolWt: 495.44 Num_heavy_atoms: 35
TPSA: 177.68 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
AD41551
Formula: C7H7O2N3

Smiles:
Nc1nccc2c1OCC(=O)N2
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.14
AlogP: -0.01 Num_rotatable_bonds: 0
MolWt: 165.15 Num_heavy_atoms: 12
TPSA: 77.24 NumAromaticRings: 1

Sugarmoiety
SD00889

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