(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]
PubChem CID: 14060449
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| Compound Synonyms | (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside], CHEBI:173300, 2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 158.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | ATWXTQLIHDYQCP-FOWTUZBSSA-N |
| Rotatable Bond Count | 12.0 |
| Heavy Atom Count | 37.0 |
| Compound Name | (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] |
| Kingdom | Organic compounds |
| Description | Constituent of Eriobotrya japonica (loquat). (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] is found in loquat and fruits. |
| Exact Mass | 530.309 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 530.309 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 781.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 530.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Total Atom Stereocenter Count | 11.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Total Bond Stereocenter Count | 1.0 |
| Class | Fatty Acyls |
| Inchi | InChI=1S/C27H46O10/c1-7-27(6,13-9-12-16(4)11-8-10-15(2)3)37-26-24(22(32)20(30)18(14-28)35-26)36-25-23(33)21(31)19(29)17(5)34-25/h7,10,12,17-26,28-33H,1,8-9,11,13-14H2,2-6H3/b16-12+ |
| Smiles | CC1C(C(C(C(O1)OC2C(C(C(OC2OC(C)(CC/C=C(\C)/CCC=C(C)C)C=C)CO)O)O)O)O)O |
| Xlogp | 1.9 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 1.0 |
| Subclass | Fatty acyl glycosides |
| Taxonomy Direct Parent | Fatty acyl glycosides of mono- and disaccharides |
| Molecular Formula | C27H46O10 |
- 1. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all