Pisumflavonoside II
PubChem CID: 131752258
Connections displayed (default: 10).
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| Compound Synonyms | Pisumflavonoside II, (-)-Pisumflavonoside II |
|---|---|
| Topological Polar Surface Area | 470.0 |
| Hydrogen Bond Donor Count | 17.0 |
| Inchi Key | CSCMWYBIYIPMJK-FPYGCLRLSA-N |
| Rotatable Bond Count | 17.0 |
| Synonyms | (-)-Pisumflavonoside II, Pisumflavonoside II |
| Heavy Atom Count | 77.0 |
| Compound Name | Pisumflavonoside II |
| Description | Constituent of Pisum sativum (pea). Pisumflavonoside II is found in pulses and common pea. |
| Exact Mass | 1096.29 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1096.29 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2010.0 |
| Hydrogen Bond Acceptor Count | 29.0 |
| Molecular Weight | 1096.9 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[2-[2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Total Atom Stereocenter Count | 20.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C48H56O29/c49-12-24-30(57)35(62)39(66)45(71-24)69-19-10-22(55)29-23(11-19)70-41(17-4-7-20(53)21(54)9-17)42(34(29)61)75-47-44(38(65)32(59)25(13-50)72-47)77-48-43(37(64)31(58)26(14-51)73-48)76-46-40(67)36(63)33(60)27(74-46)15-68-28(56)8-3-16-1-5-18(52)6-2-16/h1-11,24-27,30-33,35-40,43-55,57-60,62-67H,12-15H2/b8-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3OC4C(C(C(OC4OC5=C(OC6=CC(=CC(=C6C5=O)O)OC7C(C(C(C(O7)CO)O)O)O)C8=CC(=C(C=C8)O)O)CO)O)O)CO)O)O)O)O)O)O |
| Xlogp | -2.9 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C48H56O29 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all