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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@H](C2(C)C)CC=C2C3=CC[C@]3([C@@]2(C)[C@@H](O)C[C@@H]3[C@@H](CCCC(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C36H60O7/c1-20(2)10-9-11-21(3)24-18-27(38)36(8)23-12-13-26-33(4,5)28(15-16-34(26,6)22(23)14-17-35(24,36)7)43-32-31(41)30(40)29(39)25(19-37)42-32/h12,14,20-21,24-32,37-41H,9-11,13,15-19H2,1-8H3/t21-,24-,25-,26+,27+,28-,29-,30+,31-,32-,34-,35-,36-/m1/s1
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| InChi Key : |
InChIKey=CYNYPYOGTJQMHF-RMABKWKPSA-N
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| PubChem ID : |
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| Rotatable bond count : |
8
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
7
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Ionization potential : |
8.663740
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
1.786
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| XLogP : |
7.668
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VDW volume : |
625.688281
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| Molecular weight : |
604.433904
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HOMO-LUMO gap : |
9.134000
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| Herb list : |
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| Refrences & Litretures: |
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