Glycoside
GD100937
Name:
NoneFormula:
C24H30O7N2SSmiles:
Cc1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)ccc1N1CCOCC1Aglycone:
Cc1cc(C(=O)Nc2ccc(S)cc2)ccc1N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.58 | Num_heavy_atoms: | 34 |
| TPSA: | 131.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD42656
Formula: C18H20O2N2S
Smiles:
Cc1cc(C(=O)Nc2ccc(S)cc2)ccc1N1CCOCC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.44 | Num_heavy_atoms: | 23 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
