|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
|
| Smiles: |
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@@H]3CC[C@@]3([C@@H]4C[C@@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@@](O3)(C)CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@@H]3O)O)O)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
|
| InChi : |
InChI=1S/C57H92O28/c1-21-33-28(84-57(21)13-12-54(3,85-57)20-74-49-41(69)39(67)35(63)29(16-58)77-49)15-27-25-7-6-23-14-24(8-10-55(23,4)26(25)9-11-56(27,33)5)76-53-48(83-50-42(70)38(66)34(62)22(2)75-50)44(72)46(32(19-61)80-53)81-52-45(73)47(37(65)31(18-60)79-52)82-51-43(71)40(68)36(64)30(17-59)78-51/h6,21-22,24-53,58-73H,7-20H2,1-5H3/t21-,22-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34-,35+,36+,37+,38+,39-,40-,41-,42+,43+,44-,45+,46+,47-,48+,49+,50-,51-,52-,53+,54-,55-,56+,57-/m0/s1
|
| InChi Key : |
InChIKey=NMIRRCSMDCNCKV-XJQNJAHISA-N
|
| PubChem ID : |
71581002
|
|
|
|
| Rotatable bond count : |
15
|
Rule of five : |
3
|
| Hydrogen bond acceptor count : |
28
|
Ionization potential : |
9.233318
|
| Hydrogen bond donor count : |
16
|
Electric dipole moment : |
7.056
|
| XLogP : |
-1.851
|
VDW volume : |
1101.996426
|
| Molecular weight : |
1224.577512
|
HOMO-LUMO gap : |
9.713000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|