Glycoside
GD003782
Name:
NoneFormula:
C16H17O5N5Smiles:
CCOC(=O)C=CC#C[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C#CC=CC(=O)OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.34 | Num_heavy_atoms: | 26 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03388
Formula: C7H8O2
Smiles:
C#CC=CC(=O)OCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
