Glycoside
GD098486
Name:
NoneFormula:
C19H27O8NS2Smiles:
O=C(CC1CCS(=O)(=O)CC1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(CC1CCS(=O)(=O)CC1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.56 | Num_heavy_atoms: | 30 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD41881
Formula: C13H17O3NS2
Smiles:
O=C(CC1CCS(=O)(=O)CC1)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.42 | Num_heavy_atoms: | 19 |
| TPSA: | 63.24 | NumAromaticRings: | 1 |
