Glycoside
GD026711
Name:
NoneFormula:
C29H26O10N4SSmiles:
CC(=O)O[C@@H]1O[C@H](SC2=C(C#N)C(c3ccc4ccccc4c3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)OAglycone:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccc2ccccc2c1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.61 | Num_heavy_atoms: | 44 |
| TPSA: | 220.29 | 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 |
