Glycoside
GD132581
Name:
NoneFormula:
C19H27O11NS2Smiles:
O=C(OCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(OCCCCCC(S)=NOS(=O)(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 509.56 | Num_heavy_atoms: | 33 |
| TPSA: | 192.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD53682
Formula: C13H17O6NS2
Smiles:
O=C(OCCCCCC(S)=NOS(=O)(=O)O)c1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 347.41 | Num_heavy_atoms: | 22 |
| TPSA: | 102.26 | NumAromaticRings: | 1 |
