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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
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| Smiles: |
CC(=O)O[C@@H]1C[C@]23C[C@]43CC[C@@H](C([C@@H]4CC=C2[C@]2([C@@]1(C)[C@@H]1[C@H](C2)O[C@]2([C@@H]([C@H]1C)OC([C@H]2O)(C)C)O)C)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
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| InChi : |
InChI=1S/C37H56O11/c1-17-25-20(47-37(43)28(17)48-32(5,6)30(37)42)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+,33-,34+,35+,36-,37-/m0/s1
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| InChi Key : |
InChIKey=IHMRHYCBRKQAFU-CCPRSJHGSA-N
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| PubChem ID : |
21606551
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| Rotatable bond count : |
4
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
11
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Ionization potential : |
9.278636
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
1.627
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| XLogP : |
3.43
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VDW volume : |
641.075797
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| Molecular weight : |
676.382263
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HOMO-LUMO gap : |
10.119000
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| Herb list : |
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| Refrences & Litretures: |
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