Molecule ID: 53392495

IUPAC Name: (3S)-3-[(2R,4R)-2,4-dihydroxynonyl]-8-[(3S)-3-[(2R,4R)-2,4-dihydroxynonyl]-9,10-dihydroxy-7-methoxy-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-9,10-dihydroxy-7-methoxy-3,4-dihydrobenzo[g]isochromen-1-one

Description: The molecule is i would ideally like to have both the M and the P atropisomer, but I don't know how to indicate atropisomerism

SMILES: CCCCC[C@@H](O)C[C@@H](O)C[C@@H]1Cc2cc3cc(OC)c(-c4c(OC)cc5cc6c(c(O)c5c4O)C(=O)O[C@H](C[C@H](O)C[C@H](O)CCCCC)C6)c(O)c3c(O)c2C(=O)O1

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

InChI: InChI=1S/C46H58O14/c1-5-7-9-11-27(47)19-29(49)21-31-15-23-13-25-17-33(57-3)39(43(53)35(25)41(51)37(23)45(55)59-31)40-34(58-4)18-26-14-24-16-32(22-30(50)20-28(48)12-10-8-6-2)60-46(56)38(24)42(52)36(26)44(40)54/h13-14,17-18,27-32,47-54H,5-12,15-16,19-22H2,1-4H3/t27-,28-,29-,30-,31+,32+/m1/s1

Molecular Properties:
- Polar Surface Area: 233.0 Ų
- LogP: 9.2