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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
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| Smiles: |
CCCc1cc2O[C@H]3[C@@H](c2c(c1C(=O)O)O)[C@@H](CC[C@]3(C)O)C(=C)C
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| InChi : |
InChI=1S/C20H26O5/c1-5-6-11-9-13-16(17(21)14(11)19(22)23)15-12(10(2)3)7-8-20(4,24)18(15)25-13/h9,12,15,18,21,24H,2,5-8H2,1,3-4H3,(H,22,23)/t12-,15+,18-,20-/m0/s1
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| InChi Key : |
InChIKey=GAJDCSLPDPGRGW-NSUZUWQXSA-N
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| PubChem ID : |
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| Rotatable bond count : |
4
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
5
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Ionization potential : |
9.267495
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| Hydrogen bond donor count : |
3
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Electric dipole moment : |
3.738
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| XLogP : |
3.448
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VDW volume : |
337.275615
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| Molecular weight : |
346.178024
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HOMO-LUMO gap : |
9.054000
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| Herb list : |
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| Refrences & Litretures: |
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