Cosmomycin B; 3B-Deoxy
AlkaPlorer ID: AK293121
Synonym: Cosmomycin A, Rhodilunanencin A, Retamycin E1, A 447C', A 262A, Antibiotic A 447C', Antibiotic A 262A, Rhodilunancin A, Cytorhodin E
IUPAC Name: 10-[4-(dimethylamino)-5-[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)CCC2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2C1OC1CC(N(C)C)C(OC2CCC(OC3CCC(O)C(C)O3)C(C)O2)C(C)O1
InChI: InChI=1S/C40H53NO13/c1-7-40(48)16-15-22-31(37(47)33-32(35(22)45)36(46)30-21(34(33)44)9-8-10-25(30)43)39(40)54-29-17-23(41(5)6)38(20(4)51-29)53-28-14-12-26(19(3)50-28)52-27-13-11-24(42)18(2)49-27/h8-10,18-20,23-24,26-29,38-39,42-43,45,47-48H,7,11-17H2,1-6H3
InChIKey: HBOXKYFBCPFWOK-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 755.8580000000002
TPSA？: 193.91
MolLogP？: 3.970200000000004
Number of H-Donors: 5
Number of H-Acceptors: 14
RingCount: 7
Activities Information
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