|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
|
| Smiles: |
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)OC(=O)/C=C/c2ccc(c(c2)OC)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
|
| InChi : |
InChI=1S/C32H42O17/c1-13-21(36)27(46-19(35)7-5-14-4-6-16(41-2)17(10-14)42-3)25(40)31(44-13)47-26-15-8-9-43-29(20(15)32(12-34)28(26)49-32)48-30-24(39)23(38)22(37)18(11-33)45-30/h4-10,13,15,18,20-31,33-34,36-40H,11-12H2,1-3H3/b7-5+/t13-,15+,18+,20+,21-,22+,23-,24+,25+,26-,27+,28-,29-,30-,31-,32+/m0/s1
|
| InChi Key : |
InChIKey=ATVXWIBQUWJBAT-LMNGJMAOSA-N
|
| PubChem ID : |
|
|
|
|
| Rotatable bond count : |
12
|
Rule of five : |
3
|
| Hydrogen bond acceptor count : |
17
|
Ionization potential : |
8.651463
|
| Hydrogen bond donor count : |
7
|
Electric dipole moment : |
5.545
|
| XLogP : |
-2.049
|
VDW volume : |
610.604316
|
| Molecular weight : |
698.2422
|
HOMO-LUMO gap : |
7.972000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|