Glycoside
GD095270
Name:
NoneFormula:
C20H29O7N3SSmiles:
CC(=O)N1CCN(CC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)CC1Aglycone:
CC(=O)N1CCN(CC(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.53 | Num_heavy_atoms: | 31 |
| TPSA: | 142.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD40656
Formula: C14H19O2N3S
Smiles:
CC(=O)N1CCN(CC(=O)Nc2ccc(S)cc2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.39 | Num_heavy_atoms: | 20 |
| TPSA: | 52.65 | NumAromaticRings: | 1 |
