(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]
PubChem CID: 14060453
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| Compound Synonyms | (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside], CHEBI:168191, 2-[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 217.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | NLQYAUOYHNMEPR-GHRIWEEISA-N |
| Rotatable Bond Count | 14.0 |
| Heavy Atom Count | 47.0 |
| Compound Name | (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] |
| Description | Constituent of Eriobotrya japonica (loquat). (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] is found in loquat and fruits. |
| Exact Mass | 676.367 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 676.367 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1050.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 676.8 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Total Atom Stereocenter Count | 16.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+ |
| Smiles | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(C(OC3OC(C)(CC/C=C(\C)/CCC=C(C)C)C=C)CO)O)O)C)O)O)O |
| Xlogp | 0.8 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C33H56O14 |
- 1. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all