2-(hydroxymethyl)-6-[[19-methoxy-8-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
PubChem CID: 131752340
Connections displayed (default: 10).
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| Compound Synonyms | goyaglycoside-c |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | JYKQEJLWLRMCRC-MHWRWJLKSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | Goyaglycoside c, Goyaglycoside-c |
| Heavy Atom Count | 47.0 |
| Compound Name | 2-(hydroxymethyl)-6-[[19-methoxy-8-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol |
| Description | Constituent of Momordica charantia (bitter melon). Goyaglycoside c is found in bitter gourd and fruits. |
| Exact Mass | 662.439 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 662.439 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1220.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 662.9 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[[19-methoxy-8-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+ |
| Smiles | CC(C/C=C/C(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4OC)C)C |
| Xlogp | 5.1 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C38H62O9 |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all