Antibiotic SS 288B; 1,3C,3F-Trideoxy 

AlkaPlorer ID: AK288719

Synonym: Cosmomycin D, A 447A, A 262-3, Antibiotic A 447A, Antibiotic A 262-3, 3B,3E-Dihydroxycytorhodin A, Cytorhodin W 

IUPAC Name: 7,10-bis[[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-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(OC2CC(O)C(OC3CCC(O)C(C)O3)C(C)O2)C(C)O1

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InChI: InChI=1S/C60H88N2O22/c1-12-60(72)24-39(79-42-20-32(61(8)9)55(27(4)75-42)82-44-22-37(66)57(29(6)77-44)80-40-18-16-34(63)25(2)73-40)47-50(54(71)48-49(53(47)70)52(69)46-31(51(48)68)14-13-15-36(46)65)59(60)84-43-21-33(62(10)11)56(28(5)76-43)83-45-23-38(67)58(30(7)78-45)81-41-19-17-35(64)26(3)74-41/h13-15,25-30,32-35,37-45,55-59,63-67,70-72H,12,16-24H2,1-11H3

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InChIKey: DKWBRHNUUTWKAG-UHFFFAOYSA-N

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Reference

PubChem CID: 13671160

COCONUT: CNP0233668.2

Properties Information

Molecule Weight: 1189.3559999999998

TPSA: 313.2200000000001

MolLogP: 3.673400000000007

Number of H-Donors: 8

Number of H-Acceptors: 24

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information