|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(1R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexanecarboxylic acid , (1R,4R,5R)-3,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,5-dihydroxy-1-cyclohexanecarboxylic acid , (1R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid , (1R,4R,5R)-3,4-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]-1,5-bis(oxidanyl)cyclohexane-1-carboxylic acid , (1R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-1,5-dihydroxy-cyclohexanecarboxylic acid
|
| Smiles: |
O=C(O[C@@H]1[C@H](O)C[C@](C[C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O
|
| InChi : |
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20+,23-,25-/m1/s1
|
| InChi Key : |
InChIKey=UFCLZKMFXSILNL-YVUSBIGSSA-N
|
| PubChem ID : |
5459216
|
|
|
|
| Rotatable bond count : |
9
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
12
|
Ionization potential : |
9.189087
|
| Hydrogen bond donor count : |
7
|
Electric dipole moment : |
4.088
|
| XLogP : |
0.579
|
VDW volume : |
458.568373
|
| Molecular weight : |
516.126776
|
HOMO-LUMO gap : |
7.987000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|