Glycoside
GD091252
Name:
NoneFormula:
C18H24O8NClSSmiles:
Cc1c(S(C)(=O)=O)ccc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1ClAglycone:
Cc1c(S(C)(=O)=O)ccc(C(=O)NCCO)c1ClSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.9 | Num_heavy_atoms: | 28 |
| TPSA: | 142.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD39788
Formula: C12H14O4NClS
Smiles:
Cc1c(S(C)(=O)=O)ccc(C(=O)NCCO)c1Cl| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.76 | Num_heavy_atoms: | 18 |
| TPSA: | 83.47 | NumAromaticRings: | 1 |
