Glycoside
...
GD108593

Name:
None

Formula:
C24H24O12N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1NC(=S)SC1=Cc1ccc([N+](=O)[O-])cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 1.88 Num_rotatable_bonds: 8
MolWt: 596.59 Num_heavy_atoms: 40
TPSA: 177.88 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
AD40246
Formula: C10H6O3N2S2

Smiles:
O=C1NC(=S)SC1=Cc1ccc([N+](=O)[O-])cc1
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.08 Num_rotatable_bonds: 2
MolWt: 266.3 Num_heavy_atoms: 17
TPSA: 72.24 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O