|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
3-oxo-3-[[(3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid , 3-oxo-3-[[(3S,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-3-yl]oxy]-2-oxanyl]methoxy]propanoic acid , 3-oxo-3-[[(3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid , 3-[[(3S,6S)-6-[7-[(2S,4S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3-oxidanylidene-propanoic acid , 3-keto-3-[[(3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-tetrahydropyran-2-yl]methoxy]propionic acid
|
| Smiles: |
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@@H]2O)O)O)c2ccc(cc2)O)[C@H]([C@H]([C@@H]1O)O)O
|
| InChi : |
InChI=1S/C30H32O19/c31-8-15-20(37)23(40)25(42)29(47-15)45-12-5-13(33)19-14(6-12)46-27(10-1-3-11(32)4-2-10)28(22(19)39)49-30-26(43)24(41)21(38)16(48-30)9-44-18(36)7-17(34)35/h1-6,15-16,20-21,23-26,29-33,37-38,40-43H,7-9H2,(H,34,35)/t15-,16-,20-,21-,23+,24+,25+,26+,29-,30+/m1/s1
|
| InChi Key : |
InChIKey=PSZBCORWZMVATQ-LUOBGFLHSA-N
|
| PubChem ID : |
44258878
|
|
|
|
| Rotatable bond count : |
11
|
Rule of five : |
3
|
| Hydrogen bond acceptor count : |
19
|
Ionization potential : |
9.070090
|
| Hydrogen bond donor count : |
10
|
Electric dipole moment : |
4.252
|
| XLogP : |
-1.463
|
VDW volume : |
584.503424
|
| Molecular weight : |
696.153779
|
HOMO-LUMO gap : |
8.072000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|