Glycoside
GD093201
Name:
NoneFormula:
C22H24O6N2SSmiles:
COc1ccc(-c2c3c(n([C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)c(=S)c2C#N)CCC3)cc1Aglycone:
COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.51 | Num_heavy_atoms: | 31 |
| TPSA: | 128.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD12927
Formula: C16H14ON2S
Smiles:
COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.37 | Num_heavy_atoms: | 20 |
| TPSA: | 48.81 | NumAromaticRings: | 2 |
