Campesterol 6'-hexadecanoylglucoside
PubChem CID: 13051625
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| Compound Synonyms | ST 28:1, O, Hex, FA 16:0, Campesterol 6'-hexadecanoylglucoside |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | DAPLORBFRRJHHY-UHFFFAOYSA-N |
| Rotatable Bond Count | 24.0 |
| Synonyms | (3b,24R)-Ergost-5-en-3-ol O-(6-O-hexadecanoyl-b-D-glucopyranoside), Campesterol 6'-hexadecanoylglucoside, Campesterol O-(6-O-hexadecanoyl-b-D-glucopyranoside), Campesterol O-(6-O-hexadecanoyl-b-D-glucoside) |
| Heavy Atom Count | 57.0 |
| Compound Name | Campesterol 6'-hexadecanoylglucoside |
| Description | Constituent of peach seeds. Campesterol 6'-hexadecanoylglucoside is found in fruits and peach. |
| Exact Mass | 800.653 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 800.653 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1230.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 801.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C50H88O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-44(51)55-33-43-45(52)46(53)47(54)48(57-43)56-38-28-30-49(6)37(32-38)24-25-39-41-27-26-40(50(41,7)31-29-42(39)49)36(5)23-22-35(4)34(2)3/h24,34-36,38-43,45-48,52-54H,8-23,25-33H2,1-7H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(C)C(C)C)C)C)O)O)O |
| Xlogp | 14.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C50H88O7 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all