Glycoside
GD000397
Name:
NoneFormula:
C21H26O5N4Smiles:
CCCCCc1ccc(C#Cc2nc(C(N)=O)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)n2)cc1Aglycone:
CCCCCc1ccc(C#CC2=N[N]C(C(N)=O)=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.46 | Num_heavy_atoms: | 30 |
| TPSA: | 143.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00448
Formula: C16H17ON4
Smiles:
CCCCCc1ccc(C#CC2=N[N]C(C(N)=O)=N2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 281.34 | Num_heavy_atoms: | 21 |
| TPSA: | 81.91 | NumAromaticRings: | 1 |
