Glycoside
GD016084
Name:
NoneFormula:
C15H20O5N4Smiles:
CCC[C@H](O)[C@@H]1OC(n2ccc(=O)c3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCCO.Nc1ncnc2c1C(=O)C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.35 | Num_heavy_atoms: | 24 |
| TPSA: | 143.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00936
Formula: C4H10O
Smiles:
CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD04080
Formula: C7H5ON4
Smiles:
Nc1ncnc2c1C(=O)C=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.14 | Num_heavy_atoms: | 12 |
| TPSA: | 82.97 | NumAromaticRings: | 1 |
