|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate , acetic acid [(3S,4S,6S)-6-[[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester , [(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate , [(3S,4S,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-3,5-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate , acetic acid [(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
|
| Smiles: |
CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2ccc(c(c2)O)O)[C@H]([C@H]([C@@H]1O)O)O
|
| InChi : |
InChI=1S/C23H22O13/c1-8(24)33-7-15-17(28)19(30)21(32)23(36-15)34-10-5-13(27)16-14(6-10)35-22(20(31)18(16)29)9-2-3-11(25)12(26)4-9/h2-6,15,17,19,21,23,25-28,30-32H,7H2,1H3/t15-,17-,19+,21+,23-/m1/s1
|
| InChi Key : |
InChIKey=VCENEKCOSRMNSZ-FIXILHEQSA-N
|
| PubChem ID : |
44257999
|
|
|
|
| Rotatable bond count : |
6
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
13
|
Ionization potential : |
8.625769
|
| Hydrogen bond donor count : |
7
|
Electric dipole moment : |
4.165
|
| XLogP : |
0.839
|
VDW volume : |
425.683089
|
| Molecular weight : |
506.106041
|
HOMO-LUMO gap : |
7.521000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|