Glycoside
GD114691
Name:
6-(butan-2-yl)-4,21',24'-trihydroxy-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:
C41H62O12Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(O)C(C)O4)C(C)C=CC=C4COC5C(O)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(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 746.94 | Num_heavy_atoms: | 53 |
| TPSA: | 162.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD08649
Formula: C34H50O9
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.77 | Num_heavy_atoms: | 43 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
