Glycoside
GD152909
Name:
6-(butan-2-yl)-4,24'-dihydroxy-12'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-21'-methoxy-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:
C42H64O12Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(O)C(C)O4)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1CAglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 760.96 | Num_heavy_atoms: | 54 |
| TPSA: | 151.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD05487
Formula: C35H52O9
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 616.79 | Num_heavy_atoms: | 44 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
