Glycoside
GD090492
Name:
NoneFormula:
C18H23O7N3SSmiles:
CN(C)c1ncc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)o1Aglycone:
CN(C)c1ncc(C(=O)Nc2ccc(S)cc2)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 425.46 | Num_heavy_atoms: | 29 |
| TPSA: | 148.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD39367
Formula: C12H13O2N3S
Smiles:
CN(C)c1ncc(C(=O)Nc2ccc(S)cc2)o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 263.32 | Num_heavy_atoms: | 18 |
| TPSA: | 58.37 | NumAromaticRings: | 2 |
