Glycoside
GD133105
Name:
6-cyclohexyl-24'-hydroxy-12'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1â´,â¸.0²â°,²â´]pentacosane]-10',14',16',22'-tetraen-2'-oneFormula:
C43H64O10Smiles:
COC1CC(OC2C(C)=CCC3CC(CC4(CCC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)CC4OCC(=CC=CC2C)C43O)OC(C)C1OAglycone:
CC1=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC(C1)C42O)OC1(CCC(C)C(C2CCCCC2)O1)C3Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 740.98 | Num_heavy_atoms: | 53 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD53887
Formula: C36H52O7
Smiles:
CC1=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC(C1)C42O)OC1(CCC(C)C(C2CCCCC2)O1)C3| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 6.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 596.81 | Num_heavy_atoms: | 43 |
| TPSA: | 94.45 | NumAromaticRings: | 0 |
