|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
|
| Smiles: |
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@H]4CC[C@]5([C@@](C4=CC(=O)[C@@]3(C[C@H]2O)O)(O)CC[C@@H]5[C@]([C@@H](CCC(O)(C)C)O)(O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
|
| InChi : |
InChI=1S/C33H54O13/c1-28(2,41)9-8-22(36)31(5,42)21-7-11-32(43)17-12-23(37)33(44)13-18(35)19(14-30(33,4)16(17)6-10-29(21,32)3)45-27-26(40)25(39)24(38)20(15-34)46-27/h12,16,18-22,24-27,34-36,38-44H,6-11,13-15H2,1-5H3/t16-,18+,19-,20+,21-,22+,24+,25-,26+,27+,29+,30+,31+,32+,33+/m0/s1
|
| InChi Key : |
InChIKey=FBFCPMZXLPLUGZ-ZDKRHCRMSA-N
|
| PubChem ID : |
|
|
|
|
| Rotatable bond count : |
8
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
13
|
Ionization potential : |
9.855875
|
| Hydrogen bond donor count : |
10
|
Electric dipole moment : |
9.334
|
| XLogP : |
-1.217
|
VDW volume : |
626.541688
|
| Molecular weight : |
658.356442
|
HOMO-LUMO gap : |
9.356000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|