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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
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| Smiles: |
O=C1C=C2[C@@H]([C@@]3([C@H]1C[C@@H](O)[C@H](C3)O)C)CC[C@]1([C@@]2(O)CC[C@@H]1[C@]([C@H]1C[C@H](O[C@H](O1)c1ccccc1)C(O)(C)C)(O)C)C
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| InChi : |
InChI=1S/C34H48O8/c1-30(2,38)27-17-28(42-29(41-27)19-9-7-6-8-10-19)33(5,39)26-12-14-34(40)21-15-23(35)22-16-24(36)25(37)18-31(22,3)20(21)11-13-32(26,34)4/h6-10,15,20,22,24-29,36-40H,11-14,16-18H2,1-5H3/t20-,22-,24+,25-,26-,27-,28+,29+,31+,32+,33+,34+/m0/s1
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| InChi Key : |
InChIKey=PXHAVWRFJWNXJP-HQIAQHJJSA-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 : |
8
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Ionization potential : |
9.819204
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
2.864
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| XLogP : |
3.929
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VDW volume : |
568.720704
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| Molecular weight : |
584.334918
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HOMO-LUMO gap : |
9.542000
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| Herb list : |
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| Refrences & Litretures: |
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