Glycoside
GD095638
Name:
NoneFormula:
C19H22O8N2S2Smiles:
COc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@H]3[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]3O)C2=O)cc1Aglycone:
COc1ccc(C=C2SC(=S)N(CC(N)=O)C2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.53 | Num_heavy_atoms: | 31 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD40790
Formula: C13H12O3N2S2
Smiles:
COc1ccc(C=C2SC(=S)N(CC(N)=O)C2=O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.38 | Num_heavy_atoms: | 20 |
| TPSA: | 72.63 | NumAromaticRings: | 1 |
