Glycoside
GD120162
Name:
N-[5-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene]sulfamic acidFormula:
C12H23O8NS3Smiles:
CSCCCCC(=NS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CSCCCCC(S)=NS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 405.52 | Num_heavy_atoms: | 24 |
| TPSA: | 156.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD48236
Formula: C6H13O3NS3
Smiles:
CSCCCCC(S)=NS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 243.38 | Num_heavy_atoms: | 13 |
| TPSA: | 66.73 | NumAromaticRings: | 0 |
