Glycoside
...
GD099120

Name:
None

Formula:
C19H29O12N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC2CC([N+](=O)[O-])CCN2O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC1CC([N+](=O)[O-])CCN1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 2 FractionCSP3: 0.79
AlogP: -0.88 Num_rotatable_bonds: 8
MolWt: 491.45 Num_heavy_atoms: 34
TPSA: 193.07 NumAromaticRings: 0

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
AD26637
Formula: C5H11O3N3

Smiles:
NC1CC([N+](=O)[O-])CCN1O
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.6 Num_rotatable_bonds: 1
MolWt: 161.16 Num_heavy_atoms: 11
TPSA: 92.63 NumAromaticRings: 0

Sugarmoiety
SD00889

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