Glycoside
GD102912
Name:
NoneFormula:
C21H32O9N2SSmiles:
CON(CCC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)C(=O)OC(C)(C)CAglycone:
CON(CCC(=O)Nc1ccc(S)cc1)C(=O)OC(C)(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 488.56 | Num_heavy_atoms: | 33 |
| TPSA: | 158.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD43563
Formula: C15H22O4N2S
Smiles:
CON(CCC(=O)Nc1ccc(S)cc1)C(=O)OC(C)(C)C| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.42 | Num_heavy_atoms: | 22 |
| TPSA: | 67.87 | NumAromaticRings: | 1 |
