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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)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/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(30(47)29(46)24(18-42)52-34)54-33-31(48)28(45)23(44)19-51-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24-,25+,26+,27-,28-,29-,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
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| InChi Key : |
InChIKey=RLGBWHURXHONSU-VQDQZKJOSA-N
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| PubChem ID : |
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| Rotatable bond count : |
7
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Rule of five : |
3
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
9.187409
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
1.273
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| XLogP : |
5.518
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VDW volume : |
740.196647
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| Molecular weight : |
766.450342
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HOMO-LUMO gap : |
10.061000
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| Herb list : |
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| Refrences & Litretures: |
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