Glycoside
GD134585
Name:
(2S)-1-O-(9Z,12Z)-Octadecadienoyl-2-O-(7Z,10Z)-Hexadecadienoyl-3-O-(Alpha-D-Galactopyranosyl(1->6)-Beta-D-Galactopyranosyl)-Sn-GlycerolFormula:
C49H84O15Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCCCCCAglycone:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCC=CCC=CCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 36 |
| MolWt: | 913.2 | Num_heavy_atoms: | 64 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD48240
Formula: C37H64O5
Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCC=CCC=CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 10.28 | Num_rotatable_bonds: | 30 |
| MolWt: | 588.91 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
