Glycoside
GD078821
Name:
NoneFormula:
C17H18O6N2SSmiles:
Cc1cc(-c2ccco2)c(C#N)c(=S)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
Cc1cc(-c2ccco2)c(C#N)c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.41 | Num_heavy_atoms: | 26 |
| TPSA: | 132.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD36212
Formula: C11H8ON2S
Smiles:
Cc1cc(-c2ccco2)c(C#N)c(=S)[nH]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.26 | Num_heavy_atoms: | 15 |
| TPSA: | 52.72 | NumAromaticRings: | 2 |
