Kibdelin D

AlkaPlorer ID: AK384450

Synonym: None

IUPAC Name: None

Structure

SMILES: CCCCC/C=C/CCC(O)=NC1C(OC2=C3C=C4C=C2OC2=C(Cl)C=C(C=C2Cl)C(O)C2N=C(O)C(N=C(O)C4N=C(O)C4N=C(O)C(N=C(O)C(NC)C5=CC=C(O)C(=C5)OC5=CC(O)=C(Cl)C4=C5)C(O)C4=CC=C(O3)C(Cl)=C4)C3=CC=C(O)C(=C3)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C(=O)O)N=C2O)OC(CO)C(O)C1O

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InChI: InChI=1S/C81H82Cl4N8O29/c1-3-4-5-6-7-8-9-10-53(100)87-63-68(105)66(103)51(28-94)120-80(63)122-72-49-22-33-23-50(72)118-71-41(83)19-34(20-42(71)84)65(102)62-78(113)91-60(79(114)115)38-24-35(96)25-48(119-81-70(107)69(106)67(104)52(29-95)121-81)54(38)37-17-30(11-14-43(37)97)57(74(109)93-62)88-75(110)58(33)89-76(111)59-39-26-36(27-45(99)55(39)85)116-47-21-31(12-15-44(47)98)56(86-2)73(108)92-61(77(112)90-59)64(101)32-13-16-46(117-49)40(82)18-32/h7-8,11-27,51-52,56-70,80-81,86,94-99,101-107H,3-6,9-10,28-29H2,1-2H3,(H,87,100)(H,88,110)(H,89,111)(H,90,112)(H,91,113)(H,92,108)(H,93,109)(H,114,115)/b8-7+

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InChIKey: FZLZXWVVGYPKAS-BQYQJAHWSA-N

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Properties Information

Molecule Weight: 1773.3860000000006

TPSA: 605.0600000000003

MolLogP: 9.9121

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