Antibiotic SS 288B; 1,3C-Dideoxy, 4C-ketone, 4D-deglycosyl 

AlkaPlorer ID: AK288708

Synonym: Cytorhodin SD

IUPAC Name: 7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Structure

SMILES: CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2C1OC1CC(N(C)C)C(O)C(C)O1

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InChI: InChI=1S/C48H66N2O17/c1-10-48(59)19-30(64-32-17-26(50(8)9)45(22(4)62-32)66-34-18-29(53)46(23(5)63-34)65-31-15-14-27(51)20(2)60-31)36-39(47(48)67-33-16-25(49(6)7)40(54)21(3)61-33)44(58)37-38(43(36)57)42(56)35-24(41(37)55)12-11-13-28(35)52/h11-13,20-23,25-26,29-34,40,45-47,52-54,57-59H,10,14-19H2,1-9H3

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InChIKey: JQMPFLUNAFFXGV-UHFFFAOYSA-N

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Reference

CAS: 110817-62-4

Properties Information

Molecule Weight: 943.053

TPSA: 252.91

MolLogP: 3.0904000000000025

Number of H-Donors: 6

Number of H-Acceptors: 19

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information