Glycoside
GD009554
Name:
NoneFormula:
C25H23O10N4SBrSmiles:
CC(=O)O[C@@H]1O[C@H](SC2=C(C#N)C(c3ccc(Br)cc3)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)C1c1ccc(Br)cc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 651.45 | Num_heavy_atoms: | 41 |
| TPSA: | 220.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD07481
Formula: C13H9N4SBr
Smiles:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccc(Br)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 333.21 | Num_heavy_atoms: | 19 |
| TPSA: | 85.63 | NumAromaticRings: | 1 |
