Glycoside
...
GD099103

Name:
None

Formula:
C16H18O10N3ClS

Smiles:
O=[N+]([O-])c1c(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc2ccccc2c1Cl

Aglycone:
COS(O)(O)O.Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-]

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.4
AlogP: 1.17 Num_rotatable_bonds: 6
MolWt: 467.84 Num_heavy_atoms: 30
TPSA: 207.9 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD42186
Formula: C10H6O2N3Cl

Smiles:
Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-]
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.38 Num_rotatable_bonds: 1
MolWt: 223.62 Num_heavy_atoms: 15
TPSA: 82.05 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O