Glycoside
GD089454
Name:
NoneFormula:
C20H32O6N3SSmiles:
C[NH+]1CCN(CCC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1Aglycone:
C[NH+]1CCN(CCC(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.56 | Num_heavy_atoms: | 30 |
| TPSA: | 126.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD39021
Formula: C14H22ON3S
Smiles:
C[NH+]1CCN(CCC(=O)Nc2ccc(S)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 280.42 | Num_heavy_atoms: | 19 |
| TPSA: | 36.78 | NumAromaticRings: | 1 |
