None

AlkaPlorer ID: AK574431

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)CCCCCCCCC(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/C83H86Cl4N8O30/c1-30(2)10-8-6-4-5-7-9-11-53(101)89-63-67(105)69(107)73(81(117)118)125-82(63)124-72-50-23-34-24-51(72)121-71-42(85)20-35(21-43(71)86)65(103)62-79(114)93-60(80(115)116)39-25-36(97)26-49(122-83-70(108)68(106)66(104)52(29-96)123-83)54(39)38-18-31(12-15-44(38)98)57(75(110)95-62)90-76(111)58(34)91-77(112)59-40-27-37(28-46(100)55(40)87)119-48-22-32(13-16-45(48)99)56(88-3)74(109)94-61(78(113)92-59)64(102)33-14-17-47(120-50)41(84)19-33/h12-28,30,52,56-70,73,82-83,88,96-100,102-108H,4-11,29H2,1-3H3,(H,89,101)(H,90,111)(H,91,112)(H,92,113)(H,93,114)(H,94,109)(H,95,110)(H,115,116)(H,117,118)/t52-,56-,57-,58-,59+,60+,61-,62+,63-,64-,65-,66-,67-,68+,69+,70+,73+,82-,83+/m1/s1

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InChIKey: XTPMKDURDRUIIR-KPSQPCMASA-N

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Properties Information

Molecule Weight: 1817.4390000000003

TPSA: 622.1300000000002

MolLogP: 10.864499999999996

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