Glycoside

GD004102
Name:
NoneFormula:
C15H21O11NS2Smiles:
COc1ccc(C(=NOS(=O)(=O)O)S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(C(S)=NOS(=O)(=O)O)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.53 |
AlogP: | -1.28 | Num_rotatable_bonds: | 7 |
MolWt: | 455.46 | Num_heavy_atoms: | 29 |
TPSA: | 184.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD03636
Formula: C9H11O6NS2
Smiles:
COc1ccc(C(S)=NOS(=O)(=O)O)cc1OCHBA: | 7 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.22 |
AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
MolWt: | 293.32 | Num_heavy_atoms: | 18 |
TPSA: | 94.42 | NumAromaticRings: | 1 |