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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(=CC[C@H]4[C@@H]3CC[C@@]3([C@@H]4C[C@@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@@](O3)(C)CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
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| InChi : |
InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-45-39(62)35(58)32(55)21(2)66-45)41(64)42(30(18-54)70-47)71-46-40(63)37(60)34(57)29(17-53)69-46/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23+,24-,25-,26+,27+,28+,29+,30+,31+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49+,50+,51-/m0/s1
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| InChi Key : |
InChIKey=XNKSKPFVXMYCKU-VABIMANXSA-N
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| PubChem ID : |
71581001
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| Rotatable bond count : |
12
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Rule of five : |
3
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| Hydrogen bond acceptor count : |
23
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Ionization potential : |
9.093289
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| Hydrogen bond donor count : |
13
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Electric dipole moment : |
6.211
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| XLogP : |
0.115
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VDW volume : |
966.625843
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| Molecular weight : |
1062.524689
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HOMO-LUMO gap : |
9.927000
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| Herb list : |
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| Refrences & Litretures: |
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