Glycoside
GD147856
Name:
16-(4-{4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2-hydroxy-5-methyl-6-(propan-2-yl)oxan-2-yl}-3-hydroxypentan-2-yl)-3,15-dimethoxy-5,7,9,11-tetramethyl-2-oxo-1-oxacyclohexadeca-3,5,11,13-tetraen-8-yl 2-methylpropanoateFormula:
C46H76O14Smiles:
COC1=CC(C)=CC(C)C(OC(=O)C(C)C)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(OC3OC(C)C(O)C(O)C3OC)C(C)C(C(C)C)O2)OC1=OAglycone:
COC1=CC(C)=CC(C)C(OC(=O)C(C)C)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 5.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 853.1 | Num_heavy_atoms: | 60 |
| TPSA: | 188.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD59191
Formula: C39H64O10
Smiles:
COC1=CC(C)=CC(C)C(OC(=O)C(C)C)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=O| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 692.93 | Num_heavy_atoms: | 49 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
