Glycoside
...
GD082558

Name:
None

Formula:
C15H22O10N2S

Smiles:
O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C2

Aglycone:
COS(O)(O)O.NC1Cc2ccc([N+](=O)[O-])cc2C1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.6
AlogP: -0.39 Num_rotatable_bonds: 6
MolWt: 422.41 Num_heavy_atoms: 28
TPSA: 195.01 NumAromaticRings: 1

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
AD29107
Formula: C9H10O2N2

Smiles:
NC1Cc2ccc([N+](=O)[O-])cc2C1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 69.16 NumAromaticRings: 1

Sugarmoiety
SD00017

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