Glycoside
GD104889
Name:
NoneFormula:
C25H24O6N2SSmiles:
CC(=O)c1c(-c2cccc3ccccc23)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-c1cccc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 480.54 | Num_heavy_atoms: | 34 |
| TPSA: | 135.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD02725
Formula: C19H14ON2S
Smiles:
CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.4 | Num_heavy_atoms: | 23 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
