|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 6,8-bis[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)chromone
|
| Smiles: |
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O
|
| InChi : |
InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13+,17-,18+,21+,22-,23-,24+,26+,27-/m0/s1
|
| InChi Key : |
InChIKey=FIAAVMJLAGNUKW-RPJSPGPTSA-N
|
| PubChem ID : |
3084407
|
|
|
|
| Rotatable bond count : |
5
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
15
|
Ionization potential : |
9.687374
|
| Hydrogen bond donor count : |
11
|
Electric dipole moment : |
2.994
|
| XLogP : |
-2.552
|
VDW volume : |
502.727481
|
| Molecular weight : |
594.15847
|
HOMO-LUMO gap : |
8.306000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|