Glycoside
GD102591
Name:
NoneFormula:
C21H30O7N2SSmiles:
CC(=O)N1CCC(CC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CC1Aglycone:
CC(=O)N1CCC(CC(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.55 | Num_heavy_atoms: | 31 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD43425
Formula: C15H20O2N2S
Smiles:
CC(=O)N1CCC(CC(=O)Nc2ccc(S)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.4 | Num_heavy_atoms: | 20 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
