Glycoside
GD124733
Name:
4,24'-dihydroxy-12'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-21'-methoxy-5,11',13',22'-tetramethyl-6-(propan-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1â´,â¸.0²â°,²â´]pentacosane]-10',14',16',22'-tetraen-2'-oneFormula:
C41H62O12Smiles:
COC1CC(OC2C(C)=CCC3CC(CC4(CC(O)C(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(C3)CC(O)C(C)C(C(C)C)O1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 746.94 | Num_heavy_atoms: | 53 |
| TPSA: | 151.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD50411
Formula: C34H50O9
Smiles:
COC1C(C)=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC1C42O)OC1(C3)CC(O)C(C)C(C(C)C)O1| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.77 | Num_heavy_atoms: | 43 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
