Glycoside
GD086588
Name:
NoneFormula:
C19H29O6N3SSmiles:
CN1CCN(C)[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)C1Aglycone:
CN1CCN(C)C(C(=O)Nc2ccc(S)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.52 | Num_heavy_atoms: | 29 |
| TPSA: | 125.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD38319
Formula: C13H19ON3S
Smiles:
CN1CCN(C)C(C(=O)Nc2ccc(S)cc2)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.38 | Num_heavy_atoms: | 18 |
| TPSA: | 35.58 | NumAromaticRings: | 1 |
