|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 6-[(2S,4R,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,4R,5S)-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(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
|
| InChi : |
InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21+,22+/m1/s1
|
| InChi Key : |
InChIKey=ABRULANJVVJLFI-ISLLMKKTSA-N
|
| PubChem ID : |
44258316
|
|
|
|
| Rotatable bond count : |
4
|
Rule of five : |
1
|
| Hydrogen bond acceptor count : |
10
|
Ionization potential : |
9.507229
|
| Hydrogen bond donor count : |
6
|
Electric dipole moment : |
8.908
|
| XLogP : |
-0.386
|
VDW volume : |
384.652883
|
| Molecular weight : |
446.121297
|
HOMO-LUMO gap : |
8.323000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|