Glycoside
GD025715
Name:
NoneFormula:
C19H23O5NS2Smiles:
CSc1ccc(-c2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(C)c2)cn1Aglycone:
CSc1ccc(-c2ccc(S)c(C)c2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.53 | Num_heavy_atoms: | 27 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD17020
Formula: C13H13NS2
Smiles:
CSc1ccc(-c2ccc(S)c(C)c2)cn1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.39 | Num_heavy_atoms: | 16 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
