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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]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@H]([C@H]2O)O)O)C)C)[C@@H]([C@@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O
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| InChi : |
InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-39-36(58)33(55)31(53)25(18-48)61-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(34(56)32(54)26(19-49)62-40)64-38-35(57)30(52)24(51)20-60-38/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,43-,44+,45-,46-,47+/m1/s1
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| InChi Key : |
InChIKey=VJDJFGWUMUHTNB-JRYFUXQFSA-N
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| PubChem ID : |
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| Rotatable bond count : |
10
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
18
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Ionization potential : |
8.952691
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| Hydrogen bond donor count : |
11
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Electric dipole moment : |
6.213
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| XLogP : |
4.212
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VDW volume : |
875.56723
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| Molecular weight : |
928.503166
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HOMO-LUMO gap : |
9.757000
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| Herb list : |
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| Refrences & Litretures: |
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