Glycoside
GD103023
Name:
NoneFormula:
C23H27O8NSSmiles:
CC(=O)OC[C@H](C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccccc1Aglycone:
CC(=O)OCC(C(=O)Nc1ccc(S)cc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.54 | Num_heavy_atoms: | 33 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD43598
Formula: C17H17O3NS
Smiles:
CC(=O)OCC(C(=O)Nc1ccc(S)cc1)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.39 | Num_heavy_atoms: | 22 |
| TPSA: | 55.4 | NumAromaticRings: | 2 |
