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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
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| Smiles: |
OC[C@@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)C(=O)C=C2[C@@H]3CC[C@]3([C@H]2CC[C@@H]3[C@H]([C@H]2CC[C@H]([C@@H](O2)OC)C)C)C)C)[C@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C40H64O13/c1-18-7-10-28(51-36(18)48-6)19(2)23-8-9-24-22-16-27(42)26-15-21(11-13-40(26,5)25(22)12-14-39(23,24)4)50-38-35(33(46)31(44)29(17-41)52-38)53-37-34(47)32(45)30(43)20(3)49-37/h16,18-21,23-26,28-38,41,43-47H,7-15,17H2,1-6H3/t18-,19-,20+,21+,23-,24+,25+,26-,28-,29+,30+,31+,32+,33+,34+,35+,36-,37+,38-,39-,40-/m1/s1
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| InChi Key : |
InChIKey=WBAQZGCULGWMSH-IJJMTYKCSA-N
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| PubChem ID : |
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| Rotatable bond count : |
8
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
9.313058
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| Hydrogen bond donor count : |
6
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Electric dipole moment : |
6.323
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| XLogP : |
3.822
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VDW volume : |
722.900663
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| Molecular weight : |
752.434692
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HOMO-LUMO gap : |
9.616000
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| Herb list : |
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| Refrences & Litretures: |
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