Glycoside
GD033482
Name:
NoneFormula:
C24H24O6NClS2Smiles:
C=CCOc1cc(Cl)c(Cc2ncc(-c3cccs3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CCOc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.03 | Num_heavy_atoms: | 33 |
| TPSA: | 112.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD21371
Formula: C18H14ONClS2
Smiles:
C=CCOc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 347.89 | Num_heavy_atoms: | 22 |
| TPSA: | 22.12 | NumAromaticRings: | 3 |
