Glycoside
GD134949
Name:
24'-hydroxy-12'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-21'-methoxy-5,11',13',22'-tetramethyl-6-(propan-2-yl)-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1â´,â¸.0²â°,²â´]pentacosane]-10',14',16',22'-tetraen-2'-oneFormula:
C41H60O11Smiles:
COC1CC(OC2C(C)=CCC3CC(CC4(C=CC(C)C(C(C)C)O4)O3)OC(=O)C3C=C(C)C(OC)C4OCC(=CC=CC2C)C34O)OC(C)C1OAglycone:
COC1C(C)=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC1C42O)OC1(C=CC(C)C(C(C)C)O1)C3Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 728.92 | Num_heavy_atoms: | 52 |
| TPSA: | 131.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD54591
Formula: C34H48O8
Smiles:
COC1C(C)=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC1C42O)OC1(C=CC(C)C(C(C)C)O1)C3| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 584.75 | Num_heavy_atoms: | 42 |
| TPSA: | 103.68 | NumAromaticRings: | 0 |
