Glycoside
GD005648
Name:
NoneFormula:
C22H20O5N4SSmiles:
N#CC1=C(N)NC(S[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)=C(C#N)C1c1ccc2ccccc2c1Aglycone:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccc2ccccc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 452.49 | Num_heavy_atoms: | 32 |
| TPSA: | 175.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD04765
Formula: C17H12N4S
Smiles:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccc2ccccc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.38 | Num_heavy_atoms: | 22 |
| TPSA: | 85.63 | NumAromaticRings: | 2 |
