Glycoside
GD011455
Name:
NoneFormula:
C23H22O5N2SSmiles:
Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1OAglycone:
Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 438.51 | Num_heavy_atoms: | 31 |
| TPSA: | 118.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD08759
Formula: C17H12N2S
Smiles:
Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)[nH]1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.36 | Num_heavy_atoms: | 20 |
| TPSA: | 39.58 | NumAromaticRings: | 3 |
