Glycoside
GD114621
Name:
[3,4-bis(acetyloxy)-5-hydroxy-6-[4-hydroxy-2-(11-methoxy-3,7,11-trimethyldodeca-2,6,9-trien-1-yl)-5-methylphenoxy]oxan-2-yl]methyl acetateFormula:
C35H50O11Smiles:
COC(C)(C)C=CCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OAglycone:
COC(C)(C)C=CCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 15 |
| MolWt: | 646.77 | Num_heavy_atoms: | 46 |
| TPSA: | 147.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD45173
Formula: C23H34O3
Smiles:
COC(C)(C)C=CCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 358.52 | Num_heavy_atoms: | 26 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
