Glycoside
GD102939
Name:
NoneFormula:
C24H29O8NSSmiles:
COC(=O)[C@H](CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)Cc1ccccc1Aglycone:
COC(=O)C(CC(=O)Nc1ccc(S)cc1)Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 491.56 | Num_heavy_atoms: | 34 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD43571
Formula: C18H19O3NS
Smiles:
COC(=O)C(CC(=O)Nc1ccc(S)cc1)Cc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 329.42 | Num_heavy_atoms: | 23 |
| TPSA: | 55.4 | NumAromaticRings: | 2 |
