Glycoside
GD147861
Name:
6-(butan-2-yl)-24'-hydroxy-12'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-21'-methoxy-5,11',13',22'-tetramethyl-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:
C42H62O11Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(O)C(C)O3)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 742.95 | Num_heavy_atoms: | 53 |
| TPSA: | 131.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD20364
Formula: C35H50O8
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 598.78 | Num_heavy_atoms: | 43 |
| TPSA: | 103.68 | NumAromaticRings: | 0 |
