|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
2-(1,2-dihydroxypropyl)-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one , 2-(1,2-dihydroxypropyl)-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one , 2-(1,2-dihydroxypropyl)-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 2-[1,2-bis(oxidanyl)propyl]-8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7-methoxy-5-methyl-chromen-4-one , 2-(1,2-dihydroxypropyl)-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-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)cc(c2c1oc(cc2=O)[C@H]([C@H](O)C)O)C
|
| InChi : |
InChI=1S/C20H26O10/c1-7-4-10(28-3)14(20-18(27)17(26)16(25)12(6-21)30-20)19-13(7)9(23)5-11(29-19)15(24)8(2)22/h4-5,8,12,15-18,20-22,24-27H,6H2,1-3H3/t8-,12-,15+,16-,17+,18-,20+/m1/s1
|
| InChi Key : |
InChIKey=FSPXDGFYOBIWQF-LGTYLYJQSA-N
|
| PubChem ID : |
101713138
|
|
|
|
| Rotatable bond count : |
5
|
Rule of five : |
1
|
| Hydrogen bond acceptor count : |
10
|
Ionization potential : |
9.607541
|
| Hydrogen bond donor count : |
6
|
Electric dipole moment : |
6.344
|
| XLogP : |
-1.444
|
VDW volume : |
381.226749
|
| Molecular weight : |
426.152597
|
HOMO-LUMO gap : |
8.841000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|