Glycoside
GD096218
Name:
NoneFormula:
C21H33O6N3SSmiles:
CC(C)N1CCN(CC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)CC1Aglycone:
CC(C)N1CCN(CC(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 455.58 | Num_heavy_atoms: | 31 |
| TPSA: | 125.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD40925
Formula: C15H23ON3S
Smiles:
CC(C)N1CCN(CC(=O)Nc2ccc(S)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 293.44 | Num_heavy_atoms: | 20 |
| TPSA: | 35.58 | NumAromaticRings: | 1 |
