Garcinia biflavonoid 2
PubChem CID: 161259
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| Compound Synonyms | Garcinia biflavonoid 2, 18913-18-3, WII418YGAX, (2R,3R)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one, Garcinia GB2, GB2 Garcinia, UNII-WII418YGAX, GB 2 (GARCINIA), CHEMBL508885, DTXSID70172309, Q27292661, 3,8''-BIFLAVANONE, 3'',3''',4',4''',5,5'',7,7''-OCTAHYDROXY-, 5,7,4',3'',5'',7'',3''',4'''-OCTAHYDROXY(3-8'')BIFLAVANONE, (3,8'-BI-4H-1-BENZOPYRAN)-4,4'-DIONE, 2'-(3,4-DIHYDROXYPHENYL)-2,2',3,3'-TETRAHYDRO-3',5,5',7,7'-PENTAHYDROXY-2-(4-HYDROXYPHENYL)-, (2S,2'R,3R,3'R)-, (3,8'-BI-4H-1-BENZOPYRAN)-4,4'-DIONE, 2'-(3,4-DIHYDROXYPHENYL)-2,2',3,3'-TETRAHYDRO-3',5,5',7,7'-PENTAHYDROXY-2-(4-HYDROXYPHENYL)-, (2S-(2.ALPHA.,3.BETA.(2'S*,3'S*)))-, (3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-, (2S-(2alpha,3beta(2'S*,3'S*)))- |
|---|---|
| Topological Polar Surface Area | 214.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1000.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R,3R)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.6 |
| Molecular Formula | C30H22O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNFOQVRNAHJPMU-BENTYHEHSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -5.291 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.875 |
| Compound Name | Garcinia biflavonoid 2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 574.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 574.111 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 574.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.586019942857145 |
| Inchi | InChI=1S/C30H22O12/c31-13-4-1-11(2-5-13)28-24(25(38)21-17(35)8-14(32)9-20(21)41-28)22-18(36)10-19(37)23-26(39)27(40)29(42-30(22)23)12-3-6-15(33)16(34)7-12/h1-10,24,27-29,31-37,40H/t24-,27-,28+,29+/m0/s1 |
| Smiles | C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C5C(=C(C=C4O)O)C(=O)[C@@H]([C@H](O5)C6=CC(=C(C=C6)O)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Kola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all