Glycoside
GD076358
Name:
NoneFormula:
C15H18O8N4Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(C#N)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.N#CC1=C[N]N=N1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.33 | Num_heavy_atoms: | 27 |
| TPSA: | 162.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD25197
Formula: C3HN4
Smiles:
N#CC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 93.07 | Num_heavy_atoms: | 7 |
| TPSA: | 62.61 | NumAromaticRings: | 0 |
