Glycoside
GD090916
Name:
NoneFormula:
C18H24O7N2S2Smiles:
CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)N1CSCC1C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.53 | Num_heavy_atoms: | 29 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD39584
Formula: C12H14O2N2S2
Smiles:
CC(=O)N1CSCC1C(=O)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.39 | Num_heavy_atoms: | 18 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
