Glycoside
GD120186
Name:
1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-4-(1H-imidazol-1-yl)butan-1-oneFormula:
C25H30O9N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCCn3ccnc3)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCCn3ccnc3)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.52 | Num_heavy_atoms: | 36 |
| TPSA: | 163.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD48244
Formula: C19H20O4N2
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCCn3ccnc3)c(C)cc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.38 | Num_heavy_atoms: | 25 |
| TPSA: | 84.58 | NumAromaticRings: | 3 |
