2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[4,4,9,13,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
PubChem CID: 78157240
Connections displayed (default: 10).
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| Topological Polar Surface Area | 239.0 |
|---|---|
| Hydrogen Bond Donor Count | 10.0 |
| Heavy Atom Count | 56.0 |
| Description | Constituent of Momordica charantia (bitter melon). Momordicoside C is found in bitter gourd and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1410.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[4,4,9,13,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol |
| Nih Violation | True |
| Class | Steroids and steroid derivatives |
| Xlogp | 2.0 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Steroidal glycosides |
| Molecular Formula | C42H72O14 |
| Inchi Key | MKORKSXRXHAVFX-UHFFFAOYSA-N |
| Rotatable Bond Count | 11.0 |
| State | Solid |
| Synonyms | Momordicoside C |
| Compound Name | 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[4,4,9,13,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol |
| Kingdom | Organic compounds |
| Exact Mass | 800.492 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 800.492 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 801.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 20.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C42H72O14/c1-20(17-24(44)35(51)39(4,5)52)21-13-14-42(8)27-11-9-22-23(40(27,6)15-16-41(21,42)7)10-12-28(38(22,2)3)56-37-34(50)32(48)30(46)26(55-37)19-53-36-33(49)31(47)29(45)25(18-43)54-36/h9,20-21,23-37,43-52H,10-19H2,1-8H3 |
| Smiles | CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cucurbitacin glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all