Glycoside
GD112245
Name:
NoneFormula:
C30H26O6N2SSmiles:
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)c1-c1ccccc1Aglycone:
CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.61 | Num_heavy_atoms: | 39 |
| TPSA: | 135.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD08837
Formula: C24H16ON2S
Smiles:
CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.04 |
| AlogP: | 6.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.47 | Num_heavy_atoms: | 28 |
| TPSA: | 56.65 | NumAromaticRings: | 4 |
