|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]-7-hydroxy-chroman-4-one , (2S)-2-[4-[[(2S,3R,4S,5S,6R)-3-[[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one , (2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one , (2S)-2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxyphenyl]-7-oxidanyl-2,3-dihydrochromen-4-one , (2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]-7-hydroxy-chroman-4-one
|
| Smiles: |
OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O2)cc(cc3)O)[C@@H]([C@H]([C@@H]1O)O)O[C@H]1OC[C@@]([C@@H]1O)(O)CO
|
| InChi : |
InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23+,24+,25+,26-/m0/s1
|
| InChi Key : |
InChIKey=FTVKHUHJWDMWIR-FRFGAYJHSA-N
|
| PubChem ID : |
46232263
|
|
|
|
| Rotatable bond count : |
7
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
13
|
Ionization potential : |
9.296492
|
| Hydrogen bond donor count : |
7
|
Electric dipole moment : |
5.985
|
| XLogP : |
-1.772
|
VDW volume : |
470.487502
|
| Molecular weight : |
550.168641
|
HOMO-LUMO gap : |
8.816000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|