|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromenylium-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,4S,5S)-2-[[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyrylium-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,4S,5S)-2-[2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,4S,5S)-2-[[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1-benzopyrylium-5-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
|
| Smiles: |
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)c([o+]3)c2ccc(c(c2)O)O)[C@H]([C@H]([C@@H]1O)O)O
|
| InChi : |
InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23+,24+,26-,27-/m1/s1
|
| InChi Key : |
InChIKey=RDFLLVCQYHQOBU-JHYBHMOTSA-O
|
| PubChem ID : |
44256718
|
|
|
|
| Rotatable bond count : |
7
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
15
|
Ionization potential : |
11.588524
|
| Hydrogen bond donor count : |
11
|
Electric dipole moment : |
7.490
|
| XLogP : |
-0.645
|
VDW volume : |
501.935937
|
| Molecular weight : |
611.16121
|
HOMO-LUMO gap : |
6.429000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|