Glycoside
...
GD099110

Name:
None

Formula:
C18H24O10N4S

Smiles:
CCc1cc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1

Aglycone:
CCc1cc(N)nc(-c2ccc([N+](=O)[O-])cc2)n1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 0.99 Num_rotatable_bonds: 8
MolWt: 488.48 Num_heavy_atoms: 33
TPSA: 220.79 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
AD42189
Formula: C12H12O2N4

Smiles:
CCc1cc(N)nc(-c2ccc([N+](=O)[O-])cc2)n1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 2.2 Num_rotatable_bonds: 3
MolWt: 244.25 Num_heavy_atoms: 18
TPSA: 94.94 NumAromaticRings: 2

Sugarmoiety
SD00017

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