Glycoside
GD103146
Name:
NoneFormula:
C21H29O8NSSmiles:
COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)C1Aglycone:
COC(=O)C1CCCC(C(=O)Nc2ccc(S)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.53 | Num_heavy_atoms: | 31 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD43637
Formula: C15H19O3NS
Smiles:
COC(=O)C1CCCC(C(=O)Nc2ccc(S)cc2)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.39 | Num_heavy_atoms: | 20 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
