Glycoside
GD090852
Name:
NoneFormula:
C19H26O7N2SSmiles:
C[C@@H](C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)N1CCCC1=OAglycone:
CC(C(=O)Nc1ccc(S)cc1)N1CCCC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.49 | Num_heavy_atoms: | 29 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD39554
Formula: C13H16O2N2S
Smiles:
CC(C(=O)Nc1ccc(S)cc1)N1CCCC1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.35 | Num_heavy_atoms: | 18 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
