Glycoside
GD101747
Name:
NoneFormula:
C20H21O7N2ClSSmiles:
COc1ccc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c(Cl)n1Aglycone:
COc1ccc(C(=O)Nc2ccc(S)cc2)c(Cl)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.9 | Num_heavy_atoms: | 30 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD43085
Formula: C14H11O2N2ClS
Smiles:
COc1ccc(C(=O)Nc2ccc(S)cc2)c(Cl)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.76 | Num_heavy_atoms: | 19 |
| TPSA: | 51.22 | NumAromaticRings: | 2 |
