Glycoside
GD091179
Name:
NoneFormula:
C17H23O8NS2Smiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H]1CCCS1(=O)=OAglycone:
O=C(Nc1ccc(S)cc1)C1CCCS1(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.5 | Num_heavy_atoms: | 28 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD39745
Formula: C11H13O3NS2
Smiles:
O=C(Nc1ccc(S)cc1)C1CCCS1(=O)=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 271.36 | Num_heavy_atoms: | 17 |
| TPSA: | 63.24 | NumAromaticRings: | 1 |
