Glycoside
GD135412
Name:
1-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-4-(1H-imidazol-1-yl)butan-1-oneFormula:
C29H36O9N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCCn3ccnc3)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCCn3ccnc3)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 556.61 | Num_heavy_atoms: | 40 |
| TPSA: | 163.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD54754
Formula: C23H26O4N2
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCCn3ccnc3)c(C3CCCC3)cc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.47 | Num_heavy_atoms: | 29 |
| TPSA: | 84.58 | NumAromaticRings: | 3 |
