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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]2[C@@H](O[C@H]([C@H]([C@@H]2O)O)COC(=O)/C=C/c2cc(OC)c(c(c2)OC)O)Oc2c(oc3c(c2=O)c(O)cc(c3)O[C@@H]2O[C@@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@H]1O)O)O
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| InChi : |
InChI=1S/C50H60O30/c1-69-23-9-17(10-24(70-2)31(23)57)3-8-29(56)71-16-28-35(61)40(66)46(80-49-45(39(65)34(60)27(15-53)76-49)79-48-42(68)38(64)33(59)26(14-52)75-48)50(77-28)78-44-36(62)30-21(55)11-20(72-47-41(67)37(63)32(58)25(13-51)74-47)12-22(30)73-43(44)18-4-6-19(54)7-5-18/h3-12,25-28,32-35,37-42,45-55,57-61,63-68H,13-16H2,1-2H3/b8-3+/t25-,26-,27+,28-,32+,33+,34+,35+,37-,38-,39-,40-,41+,42+,45+,46-,47+,48-,49-,50-/m0/s1
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| InChi Key : |
InChIKey=ZHKQNEIJKFLEEK-QFUMQWROSA-N
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| PubChem ID : |
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| Rotatable bond count : |
19
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Rule of five : |
3
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| Hydrogen bond acceptor count : |
27
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Ionization potential : |
8.817454
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| Hydrogen bond donor count : |
16
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Electric dipole moment : |
11.420
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| XLogP : |
-3.451
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VDW volume : |
971.236858
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| Molecular weight : |
1140.316941
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HOMO-LUMO gap : |
7.315000
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| Herb list : |
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| Refrences & Litretures: |
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