Glycoside
GD006396
Name:
NoneFormula:
C11H14O5N4Smiles:
CC#Cc1c(C(N)=O)nnn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC#CC1=C(C(N)=O)N=N[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.26 | Num_heavy_atoms: | 20 |
| TPSA: | 143.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD05301
Formula: C6H5ON4
Smiles:
CC#CC1=C(C(N)=O)N=N[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
