Glycoside
...
GD092175

Name:
None

Formula:
C16H21O10N3S

Smiles:
Cc1cc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc2ccc([N+](=O)[O-])cc12

Aglycone:
COS(O)(O)O.Cc1cc(N)nc2ccc([N+](=O)[O-])cc12

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 0.83 Num_rotatable_bonds: 6
MolWt: 447.42 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
AD40238
Formula: C10H9O2N3

Smiles:
Cc1cc(N)nc2ccc([N+](=O)[O-])cc12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 2.03 Num_rotatable_bonds: 1
MolWt: 203.2 Num_heavy_atoms: 15
TPSA: 82.05 NumAromaticRings: 2

Sugarmoiety
SD00017

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