Glycoside
GD002401
Name:
NoneFormula:
C13H13O4N2ClSSmiles:
OC[C@@H]1O[C@H](n2c(=S)[nH]c3ccc(Cl)cc32)[C@H](O)[C@H]1OAglycone:
S=c1[nH]c2ccc(Cl)cc2[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.77 | Num_heavy_atoms: | 20 |
| TPSA: | 90.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD02297
Formula: C8H5N2ClS
Smiles:
S=c1[nH]c2ccc(Cl)cc2[nH]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.65 | Num_heavy_atoms: | 11 |
| TPSA: | 31.58 | NumAromaticRings: | 2 |
