Glycoside
GD118163
Name:
GlucomalcomiinFormula:
C17H23O11NS2Smiles:
O=C(OCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(OCCCC(S)=NOS(=O)(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 481.5 | Num_heavy_atoms: | 31 |
| TPSA: | 192.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD47214
Formula: C11H13O6NS2
Smiles:
O=C(OCCCC(S)=NOS(=O)(=O)O)c1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 319.36 | Num_heavy_atoms: | 20 |
| TPSA: | 102.26 | NumAromaticRings: | 1 |
