Glycoside
GD083747
Name:
NoneFormula:
C18H19O8NSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1ccc(=O)oc1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.42 | Num_heavy_atoms: | 28 |
| TPSA: | 149.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD37335
Formula: C12H9O3NS
Smiles:
O=C(Nc1ccc(S)cc1)c1ccc(=O)oc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.28 | Num_heavy_atoms: | 17 |
| TPSA: | 59.31 | NumAromaticRings: | 2 |
