Glycoside
GD121651
Name:
({S-heptyl-S-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfinimidoyl}oxy)sulfonic acidFormula:
C13H27O9NS2Smiles:
CCCCCCCS(=NOS(=O)(=O)O)C1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCC[S]=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 405.49 | Num_heavy_atoms: | 25 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD48978
Formula: C7H16O4NS2
Smiles:
CCCCCCC[S]=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 242.34 | Num_heavy_atoms: | 14 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
