Glycoside
GD085905
Name:
NoneFormula:
C19H20O7N2SSmiles:
CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1CAglycone:
CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.44 | Num_heavy_atoms: | 29 |
| TPSA: | 149.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD08313
Formula: C13H10O2N2S
Smiles:
CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.3 | Num_heavy_atoms: | 18 |
| TPSA: | 69.79 | NumAromaticRings: | 2 |
