Glycoside
GD035982
Name:
NoneFormula:
C17H23O5N5Smiles:
CCOC(=O)CCCC=C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C=CCCCC(=O)OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 377.4 | Num_heavy_atoms: | 27 |
| 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 |
AD22741
Formula: C8H14O2
Smiles:
C=CCCCC(=O)OCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 142.2 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
