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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
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| Smiles: |
CC(=O)O[C@@H]([C@@H]1OC1(C)C)C[C@H]([C@H]1C(=O)[C@H]([C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)O)C
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| InChi : |
InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,28-,29-,30+,31+,34-,35-,36-,37+/m1/s1
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| InChi Key : |
InChIKey=IHEJMZHKJYHVFF-WOKJTIJESA-N
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| PubChem ID : |
101203117
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| Rotatable bond count : |
8
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
10
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Ionization potential : |
9.625561
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
2.622
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| XLogP : |
5.969
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VDW volume : |
644.642029
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| Molecular weight : |
662.402998
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HOMO-LUMO gap : |
10.220000
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| Herb list : |
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| Refrences & Litretures: |
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