Isorhamnetin 3-sophoroside-7-rhamnoside
PubChem CID: 74978261
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| Compound Synonyms | Isorhamnetin 3-sophoroside 7-rhamnoside, 3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 334.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Inchi Key | FJQKXKNZQQBTDD-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] 7-O-a-L-rhamnopyranoside, Isorhamnetin 3-sophoroside 7-rhamnoside, Isorhamnetin 3-sophoroside-7-rhamnoside |
| Heavy Atom Count | 55.0 |
| Compound Name | Isorhamnetin 3-sophoroside-7-rhamnoside |
| Description | Isolated from Hippophae rhamnoides [CCD]. Isorhamnetin 3-sophoroside 7-rhamnoside is found in sea-buckthornberry. |
| Exact Mass | 786.222 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 786.222 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1340.0 |
| Hydrogen Bond Acceptor Count | 21.0 |
| Molecular Weight | 786.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(49-10)50-12-6-14(38)19-16(7-12)51-29(11-3-4-13(37)15(5-11)48-2)30(23(19)42)54-34-31(26(45)22(41)18(9-36)53-34)55-33-28(47)25(44)21(40)17(8-35)52-33/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3 |
| Smiles | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC(=C(C=C6)O)OC)O)O)O)O |
| Xlogp | -2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C34H42O21 |
- 1. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:fooddb_chem_all