Glycoside
GD119171
Name:
1-[(12,13-dihydroxyicosa-5,8,10,14,17-pentaenoyl)oxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl 12,13-dihydroxyicosa-5,8,10,14,17-pentaenoateFormula:
C49H74O14Smiles:
CCC=CCC=CC(O)C(O)C=CC=CCC=CCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCC=CCC=CC=CC(O)C(O)C=CCC=CCCAglycone:
CCC=CCC=CC(O)C(O)C=CC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CC=CC(O)C(O)C=CCC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 33 |
| MolWt: | 887.12 | Num_heavy_atoms: | 63 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD47704
Formula: C43H64O9
Smiles:
CCC=CCC=CC(O)C(O)C=CC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CC=CC(O)C(O)C=CCC=CCC| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.49 |
| AlogP: | 7.16 | Num_rotatable_bonds: | 30 |
| MolWt: | 724.98 | Num_heavy_atoms: | 52 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
