Molecule ID: 6440579

IUPAC Name: (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

Description: The molecule is a milbemycin originally isolated from Streptomyces hygroscopicus with formula C33H48O7 that has insecticidal and anthelmintic proerties. It has a role as an insecticide, an anthelminthic drug and a nematicide.

SMILES: CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3

SELFIES: [C][C][=C][C@H1][C][=Branch1][C][=O][O][C@H1][C][C@@H1][Branch2][Ring1][P][C][/C][=C][Branch1][C][\C][C][C@@H1][Branch1][C][C][/C][=C][/C][=C][\C][O][C@H1][Branch1][=Branch1][C@@H1][Ring2][Ring1][Branch2][O][C@@][Ring1][#Branch1][Ring2][Ring1][Branch2][O][O][C@@][Branch2][Ring1][C][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][#Branch2][C][Ring2][Ring1][P]

InChI: InChI=1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1

Molecular Properties:
- Polar Surface Area: 94.4 Ų
- LogP: 4.1