Glycoside
GD018468
Name:
NoneFormula:
C24H24O8N4SSmiles:
CC(=O)O[C@@H]1O[C@H](SC2=C(C#N)C(c3ccccc3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OAglycone:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.54 | Num_heavy_atoms: | 37 |
| TPSA: | 193.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD08425
Formula: C13H10N4S
Smiles:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.32 | Num_heavy_atoms: | 18 |
| TPSA: | 85.63 | NumAromaticRings: | 1 |
