Glycoside
GD036152
Name:
NoneFormula:
C19H18O4NClSSmiles:
O[C@@H]1[C@@H](n2cc(Cc3cccs3)c3c(Cl)cccc32)OC[C@@H](O)[C@H]1OAglycone:
Clc1cccc2[nH]cc(Cc3cccs3)c12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 379.87 | Num_heavy_atoms: | 25 |
| TPSA: | 74.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD22830
Formula: C14H10NClS
Smiles:
Clc1cccc2[nH]cc(Cc3cccs3)c12| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.75 | Num_heavy_atoms: | 16 |
| TPSA: | 15.79 | NumAromaticRings: | 3 |
