Glycoside
GD082030
Name:
NoneFormula:
C18H24O7N2SSmiles:
CN1C[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CC1=OAglycone:
CN1CC(C(=O)Nc2ccc(S)cc2)CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.46 | Num_heavy_atoms: | 28 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD36833
Formula: C12H14O2N2S
Smiles:
CN1CC(C(=O)Nc2ccc(S)cc2)CC1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.32 | Num_heavy_atoms: | 17 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
