Molecule ID: 145944414

IUPAC Name: [(1R)-1-[(1S,2S)-6-[(5S,6S)-5-[(1R)-1-acetyloxyethyl]-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl]ethyl] acetate

Description: The molecule is a member of the class of bianthracenes resulting from the 7,7'-oxidative dimerisation of julichrome Q6. The major species at pH 7.3 It is a member of bianthracenes, an acetate ester, a cyclic ketone, a polyketide and a tertiary alcohol. It derives from a julichrome Q6. It is a conjugate acid of a julichrome Q6-6(1-).

SMILES: CC(=O)O[C@H](C)[C@@H]1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)[C@@H]6[C@@H](C)OC(C)=O)c(O)c3c(O)c2C(=O)C[C@]1(C)O

SELFIES: [C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C@@H1][C][=C][C][=C][C][=C][Branch2][Ring2][=C][C][=C][C][=C][C][=C][C][=Branch1][N][=C][Branch1][C][O][C][Ring1][#Branch1][=C][Ring1][O][O][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch1][C][O][C@@H1][Ring1][=C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][=O][C][Branch1][C][O][=C][Ring2][Ring1][S][C][Branch1][C][O][=C][Ring2][Ring2][Branch1][C][=Branch1][C][=O][C][C@][Ring2][Ring2][#Branch2][Branch1][C][C][O]

InChI: InChI=1S/C38H38O12/c1-15(49-17(3)39)31-23-11-19-7-9-21(33(43)27(19)35(45)29(23)25(41)13-37(31,5)47)22-10-8-20-12-24-30(36(46)28(20)34(22)44)26(42)14-38(6,48)32(24)16(2)50-18(4)40/h7-12,15-16,31-32,43-48H,13-14H2,1-6H3/t15-,16-,31-,32-,37+,38+/m1/s1

Molecular Properties:
- Polar Surface Area: 208.0 Ų
- LogP: 4.6