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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]2[C@@H](OC[C@@H]([C@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O[C@@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3C[C@@H]3O[C@@]43[C@@]2(C)C[C@@H]([C@@]2([C@H]4C[C@@](C)(C=O)[C@H](C2)OC(=O)c2ccccc2NC)C)O)C)C)[C@@H]([C@@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3/t27-,28-,29+,30-,31-,32-,33+,34-,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-,46+,47+,48+,49+,50+,51+,52+,53-,54+,55+/m1/s1
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| InChi Key : |
InChIKey=SYXUBXTYGFJFEH-XROOLGEISA-N
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| PubChem ID : |
441907
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| Rotatable bond count : |
14
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Rule of five : |
3
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| Hydrogen bond acceptor count : |
22
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Ionization potential : |
8.621453
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| Hydrogen bond donor count : |
12
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Electric dipole moment : |
7.709
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| XLogP : |
1.719
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VDW volume : |
1007.780254
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| Molecular weight : |
1093.545759
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HOMO-LUMO gap : |
8.179000
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| Herb list : |
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| Refrences & Litretures: |
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