Naphthomycin A
AlkaPlorer ID: AK307382
Synonym: Naphthomycin, Ro 7-7961, WH26-2, X 12384, Antibiotic Ro 7-7961, Antibiotic X 12384
IUPAC Name: 31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
Structure
SMILES: CC1=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(=O)C2=C(O)C(C)=CC3=C2C(=O)C(Cl)=C(NC(=O)C(C)=CC=CC=CC(C)C(O)CC1=O)C3=O
InChI: InChI=1S/C40H46ClNO9/c1-20-11-9-8-10-12-23(4)40(51)42-34-33(41)39(50)31-28(38(34)49)18-26(7)37(48)32(31)36(47)25(6)17-24(5)35(46)22(3)14-16-27(43)15-13-21(2)30(45)19-29(20)44/h8-14,16-18,20,22,24,27,29,35,43-44,46,48H,15,19H2,1-7H3,(H,42,51)
InChIKey: AXEGRHYJHHPVDH-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 720.2590000000002
TPSA？: 178.29999999999998
MolLogP？: 5.690320000000007
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 4
Activities Information
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