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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
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| Smiles: |
OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C30H30O21/c31-10-2-1-8(3-11(10)32)25-26(50-30-24(43)21(40)22(41)27(51-30)28(44)45)19(38)17-12(33)4-9(5-13(17)48-25)47-29-23(42)20(39)18(37)14(49-29)7-46-16(36)6-15(34)35/h1-5,14,18,20-24,27,29-33,37,39-43H,6-7H2,(H,34,35)(H,44,45)/t14-,18-,20+,21+,22+,23-,24-,27+,29-,30-/m1/s1
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| InChi Key : |
InChIKey=DQYSACUVCZSOTP-FYAPQRPLSA-N
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| PubChem ID : |
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| Rotatable bond count : |
11
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Rule of five : |
3
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| Hydrogen bond acceptor count : |
21
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Ionization potential : |
9.118470
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| Hydrogen bond donor count : |
11
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Electric dipole moment : |
6.533
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| XLogP : |
-0.958
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VDW volume : |
599.447419
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| Molecular weight : |
726.127958
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HOMO-LUMO gap : |
7.844000
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| Herb list : |
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| Refrences & Litretures: |
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