None

AlkaPlorer ID: AK515340

Synonym: None

IUPAC Name: None

Structure

SMILES: CN[C@H]1C(O)=N[C@H]2C(O)=N[C@H](C(O)=N[C@H]3C(O)=N[C@H]4C(O)=N[C@H](C(O)=N[C@H](C(=O)O)C5=CC(O)=CC(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)=C5C5=CC4=CC=C5O)[C@H](O)C4=CC(Cl)=C(OC5=C(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6N=C(O)CCCCCCCC(C)C)C(=CC3=C5)OC3=CC=C(C=C3Cl)[C@H]2O)C(Cl)=C4)C2=CC(=CC(O)=C2Cl)OC2=CC1=CC=C2O

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InChI: InChI=1S/C82H84Cl4N8O30/c1-29(2)9-7-5-4-6-8-10-52(100)88-62-66(104)68(106)72(80(116)117)124-81(62)123-71-49-22-33-23-50(71)120-70-41(84)19-34(20-42(70)85)64(102)61-78(113)92-59(79(114)115)38-24-35(96)25-48(121-82-69(107)67(105)65(103)51(28-95)122-82)53(38)37-17-30(11-14-43(37)97)56(74(109)94-61)89-75(110)57(33)90-76(111)58-39-26-36(27-45(99)54(39)86)118-47-21-31(12-15-44(47)98)55(87-3)73(108)93-60(77(112)91-58)63(101)32-13-16-46(119-49)40(83)18-32/h11-27,29,51,55-69,72,81-82,87,95-99,101-107H,4-10,28H2,1-3H3,(H,88,100)(H,89,110)(H,90,111)(H,91,112)(H,92,113)(H,93,108)(H,94,109)(H,114,115)(H,116,117)/t51-,55-,56-,57-,58+,59+,60-,61+,62-,63-,64-,65-,66-,67+,68+,69+,72+,81-,82+/m1/s1

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InChIKey: RRLODODSHAQKPU-HBAKJDICSA-N

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Properties Information

Molecule Weight: 1803.4120000000005

TPSA: 622.1300000000002

MolLogP: 10.4744

Number of H-Donors: 22

Number of H-Acceptors: 29

RingCount: 15

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information