Glycoside
GD143481
Name:
4-amino-1-{5-[(anthracen-1-yloxy)methyl]-3,4-dihydroxyoxolan-2-yl}-1,2-dihydropyrimidin-2-oneFormula:
C23H21O5N3Smiles:
N=c1ccn(C2OC(COc3cccc4cc5ccccc5cc34)C(O)C2O)c(O)n1Aglycone:
COc1cccc2cc3ccccc3cc12.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 419.44 | Num_heavy_atoms: | 31 |
| TPSA: | 120.82 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD57706
Formula: C15H12O
Smiles:
COc1cccc2cc3ccccc3cc12| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.26 | Num_heavy_atoms: | 16 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
