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Aridicin; Aridicin C1, 6A-Alcohol 

AlkaPlorer ID: AK289257

Synonym: Kibdelin C1, AAD 609C, Antibiotic AAD 609C 

IUPAC Name: 5,15,32,65-tetrachloro-64-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(1-hydroxy-10-methylundecylidene)amino]oxan-2-yl]oxy-2,18,21,26,31,35,38,44,49,54,56,59-dodecahydroxy-22-(methylamino)-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid

Structure

SMILES: CNC1C(O)=NC2C(O)=NC(C(O)=NC3C(O)=NC4C(O)=NC(C(O)=NC(C(=O)O)C5=CC(O)=CC(OC6OC(CO)C(O)C(O)C6O)=C5C5=CC4=CC=C5O)C(O)C4=CC(Cl)=C(OC5=C(OC6OC(CO)C(O)C(O)C6N=C(O)CCCCCCCCC(C)C)C(=CC3=C5)OC3=CC=C(C=C3Cl)C2O)C(Cl)=C4)C2=CC(=CC(O)=C2Cl)OC2=CC1=CC=C2O

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InChI: InChI=1S/C83H88Cl4N8O29/c1-31(2)10-8-6-4-5-7-9-11-55(102)89-65-70(107)68(105)53(29-96)122-82(65)124-74-51-23-35-24-52(74)120-73-43(85)20-36(21-44(73)86)67(104)64-80(115)93-62(81(116)117)40-25-37(98)26-50(121-83-72(109)71(108)69(106)54(30-97)123-83)56(40)39-18-32(12-15-45(39)99)59(76(111)95-64)90-77(112)60(35)91-78(113)61-41-27-38(28-47(101)57(41)87)118-49-22-33(13-16-46(49)100)58(88-3)75(110)94-63(79(114)92-61)66(103)34-14-17-48(119-51)42(84)19-34/h12-28,31,53-54,58-72,82-83,88,96-101,103-109H,4-11,29-30H2,1-3H3,(H,89,102)(H,90,112)(H,91,113)(H,92,114)(H,93,115)(H,94,110)(H,95,111)(H,116,117)

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InChIKey: ZFVRJVVAOBPVHG-UHFFFAOYSA-N

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Reference

PubChem CID: 162849471

CAS: 103549-47-9

COCONUT: CNP0111396.1

Properties Information

Molecule Weight: 1803.4560000000004

TPSA？: 605.0600000000003

MolLogP？: 10.772199999999998

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