Glycoside
GD119817
Name:
1-(octadeca-9,12,15-trienoyloxy)-3-({3,4,6-trihydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)propan-2-yl octadeca-9,12,15-trienoateFormula:
C49H80O15Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCCSugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 6.18 | Num_rotatable_bonds: | 34 |
| MolWt: | 909.16 | Num_heavy_atoms: | 64 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD02397
Formula: C39H64O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 10.61 | Num_rotatable_bonds: | 30 |
| MolWt: | 612.94 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
