Glycoside
GD125478
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-trienoateFormula:
C47H80O16Smiles:
CCCC=CCC(OC(C=CC(CC=CCCCC(=O)OC)OCC1OC(OCC(O)CO)C(O)C(O)C1O)C(O)CC=CCCCCC)C(O)C=CC(O)CCCCC(=O)OCAglycone:
CCCC=CCC(OC(C=CC(CC=CCCCC(=O)OC)OC)C(O)CC=CCCCCC)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: | 0.74 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 36 |
| MolWt: | 901.14 | 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 |
AD50750
Formula: C39H66O9
Smiles:
CCCC=CCC(OC(C=CC(CC=CCCCC(=O)OC)OC)C(O)CC=CCCCCC)C(O)C=CC(O)CCCCC(=O)OC| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 7.25 | Num_rotatable_bonds: | 30 |
| MolWt: | 678.95 | Num_heavy_atoms: | 48 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
