Glycoside
GD122107
Name:
[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octadec-9-enoateFormula:
C27H45O6N3Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(n2ccc(=N)nc2O)C(O)C1OAglycone:
CCCCCCCCC=CCCCCCCCC(=O)OC.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 18 |
| MolWt: | 507.67 | Num_heavy_atoms: | 36 |
| TPSA: | 137.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD02156
Formula: C19H36O2
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.84 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 15 |
| MolWt: | 296.49 | Num_heavy_atoms: | 21 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
