Glycoside
GD150902
Name:
methyl 11-[(8,11-dihydroxy-16-methoxy-16-oxohexadeca-4,9-dien-7-yl)oxy]-8-{[6-(2,3-dihydroxypropoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-12-hydroxyicosa-5,9,14,17-tetraenoateFormula:
C47H78O16Smiles:
CCC=CCC=CCC(O)C(C=CC(CC=CCCCC(=O)OC)OCC1OC(OCC(O)CO)C(O)C(O)C1O)OC(CC=CCCC)C(O)C=CC(O)CCCCC(=O)OCAglycone:
CCC=CCC=CCC(O)C(C=CC(CC=CCCCC(=O)OC)OC)OC(CC=CCCC)C(O)C=CC(O)CCCCC(=O)OC.OCC(O)COSugarmoiety:
OCC(O)COC(O)C(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 35 |
| MolWt: | 899.13 | Num_heavy_atoms: | 63 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
AD60233
Formula: C39H64O9
Smiles:
CCC=CCC=CCC(O)C(C=CC(CC=CCCCC(=O)OC)OC)OC(CC=CCCC)C(O)C=CC(O)CCCCC(=O)OC| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 7.02 | Num_rotatable_bonds: | 29 |
| MolWt: | 676.93 | Num_heavy_atoms: | 48 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
