General Information of the Compound
| Compound ID |
CP0887441
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| Compound Name |
gypenoside XLIII
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| Structure |
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| Formula |
C54H92O23
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| Molecular Weight |
1109.307
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| Canonical SMILES |
CC(C)/C=C/C[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
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| InChI |
InChI=1S/C54H92O23/c1-22(2)11-10-14-54(9,77-48-43(69)39(65)36(62)29(74-48)21-70-46-41(67)37(63)33(59)23(3)71-46)24-12-15-53(8)32(24)25(57)17-31-51(6)18-26(58)45(50(4,5)30(51)13-16-52(31,53)7)76-49-44(40(66)35(61)28(20-56)73-49)75-47-42(68)38(64)34(60)27(19-55)72-47/h10-11,22-49,55-69H,12-21H2,1-9H3/b11-10+/t23-,24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
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| InChIKey |
BELNSFQGUZLZDP-QTKFDMFMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound