Glycoside
GD104890
Name:
NoneFormula:
C24H24O5N2SSmiles:
CCc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CCc1cc(-c2cccc3ccccc23)c(C#N)c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.53 | Num_heavy_atoms: | 32 |
| TPSA: | 118.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD44021
Formula: C18H14N2S
Smiles:
CCc1cc(-c2cccc3ccccc23)c(C#N)c(=S)[nH]1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.39 | Num_heavy_atoms: | 21 |
| TPSA: | 39.58 | NumAromaticRings: | 3 |
