Glycoside
GD136957
Name:
4-amino-1-(3,4-dihydroxy-5-{[tris(4-methylphenyl)methoxy]methyl}oxolan-2-yl)-1,2-dihydropyrimidin-2-oneFormula:
C31H33O5N3Smiles:
Cc1ccc(C(OCC2OC(n3ccc(=N)nc3O)C(O)C2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1Aglycone:
COC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 527.62 | Num_heavy_atoms: | 39 |
| TPSA: | 120.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD44619
Formula: C23H24O
Smiles:
COC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.44 | Num_heavy_atoms: | 24 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
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 |
