Momordicoside B
PubChem CID: 131751677
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| Compound Synonyms | Momordicoside B, 75799-04-1, 6-[3-[3,4-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol, 5-Aminomethyl-1,3-benzodioxole, DTXSID401099993, (3I(2),9I(2),10I+/-,22S,23R,24R)-22,23,24,25-Tetrahydroxy-9-methyl-19-norlanost-5-en-3-yl O-I(2)-D-glucopyranosyl-(1a6)-O-[I(2)-D-xylopyranosyl-(1a4)]-I(2)-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 318.0 |
| Hydrogen Bond Donor Count | 13.0 |
| Heavy Atom Count | 66.0 |
| Description | Constituent of Momordica charantia (bitter melon). Momordicoside B is found in bitter gourd and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1700.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[3-[3,4-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol |
| Nih Violation | True |
| Class | Steroids and steroid derivatives |
| Xlogp | -0.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Steroidal glycosides |
| Molecular Formula | C47H80O19 |
| Inchi Key | MOWDSRSBTXORLO-UHFFFAOYSA-N |
| Rotatable Bond Count | 13.0 |
| State | Solid |
| Synonyms | 1,3-Benzodioxole-5-methylamine, 3,4-(Methylenedioxy)benzylamine, 3,4-Methylenedioxybenzylamine, 5-Aminomethyl-1,3-benzodioxole, Benzo-1,3-dioxole-5-methylamine, Momordicoside B, Piperonylamine |
| Compound Name | Momordicoside B |
| Kingdom | Organic compounds |
| Exact Mass | 948.529 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 948.529 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 949.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 25.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)33(54)38(66-41-35(56)30(51)24(49)18-61-41)26(64-42)19-62-40-36(57)32(53)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,10-19H2,1-8H3 |
| Smiles | CC(C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(CO7)O)O)O)O)O)C)C)C)C(C(C(C(C)(C)O)O)O)O |
| 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