Glycoside
GD096393
Name:
NoneFormula:
C23H31O6N4SSmiles:
C[NH+]1CCN(c2cnccc2C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1Aglycone:
C[NH+]1CCN(c2cnccc2C(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.59 | Num_heavy_atoms: | 34 |
| TPSA: | 139.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD40996
Formula: C17H21ON4S
Smiles:
C[NH+]1CCN(c2cnccc2C(=O)Nc2ccc(S)cc2)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.45 | Num_heavy_atoms: | 23 |
| TPSA: | 49.67 | NumAromaticRings: | 2 |
