Glycoside
...
GD096315

Name:
None

Formula:
C21H26O11N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2[nH+]ccc3c2NC(=O)CO3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1[nH+]ccc2c1NC(=O)CO2

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 3 FractionCSP3: 0.52
AlogP: -0.67 Num_rotatable_bonds: 7
MolWt: 496.45 Num_heavy_atoms: 35
TPSA: 178.93 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
AD40963
Formula: C7H8O2N3

Smiles:
Nc1[nH+]ccc2c1NC(=O)CO2
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.14
AlogP: -0.59 Num_rotatable_bonds: 0
MolWt: 166.16 Num_heavy_atoms: 12
TPSA: 78.49 NumAromaticRings: 1

Sugarmoiety
SD00889

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