Glycoside
...
GD103615

Name:
None

Formula:
C20H31O12N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC2CC([N+](=O)[O-])C(C)CN2O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC1CN(O)C(N)CC1[N+](=O)[O-].COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 2 FractionCSP3: 0.8
AlogP: -0.64 Num_rotatable_bonds: 8
MolWt: 505.48 Num_heavy_atoms: 35
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
AD29133
Formula: C6H13O3N3

Smiles:
CC1CN(O)C(N)CC1[N+](=O)[O-]
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.35 Num_rotatable_bonds: 1
MolWt: 175.19 Num_heavy_atoms: 12
TPSA: 92.63 NumAromaticRings: 0

Sugarmoiety
SD00889

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