General Information of the Compound
| Compound ID |
CP0950404
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| Compound Name |
gypenoside GC7
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| Structure |
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| Formula |
C48H82O19
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| Molecular Weight |
963.165
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| Canonical SMILES |
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@](C)(C/C=C/C(C)(C)O)[C@H]3CC[C@]4(C)[C@@H]3[C@H](O)C[C@@H]3[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]34C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C48H82O19/c1-21-30(52)33(55)36(58)40(63-21)62-20-26-32(54)35(57)38(60)42(65-26)67-48(9,14-10-13-43(2,3)61)22-11-15-47(8)29(22)23(50)17-28-45(6)18-24(51)39(44(4,5)27(45)12-16-46(28,47)7)66-41-37(59)34(56)31(53)25(19-49)64-41/h10,13,21-42,49-61H,11-12,14-20H2,1-9H3/b13-10+/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,42-,45-,46+,47+,48-/m0/s1
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| InChIKey |
QJCPQBFGISCIQN-AERVORIBSA-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