Glycoside
GD102545
Name:
NoneFormula:
C21H23O7N3SSmiles:
Cn1cccc1-c1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)no1Aglycone:
Cn1cccc1-c1cc(C(=O)Nc2ccc(S)cc2)no1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.5 | Num_heavy_atoms: | 32 |
| TPSA: | 150.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD43405
Formula: C15H13O2N3S
Smiles:
Cn1cccc1-c1cc(C(=O)Nc2ccc(S)cc2)no1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.36 | Num_heavy_atoms: | 21 |
| TPSA: | 60.06 | NumAromaticRings: | 3 |
