Molecule ID: 70697901

IUPAC Name: (2E,4E,6E,10E,13S,14S,15R,16E,18E,20E,22E,24E,26E,33R,35S,36E,39S,41R,43S,44E,47R,49S,50E,53R,55S)-58-amino-13,15,29,33,35,39,41,43,47,49,53,55-dodecahydroxy-2,12,14,30-tetramethyl-31-oxooctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid

Description: The molecule is a polyene antibiotic isolated from Streptomyces mediocidicus ATCC23936 and has been shown to exhibit a broad spectrum of antifungal activity. It has a role as a metabolite and an antifungal agent. It is an amino acid, a polyene antibiotic and a primary amino compound.

SMILES: C/C(=C\C=C\C=C\CC/C=C/C(C)[C@H](O)[C@@H](C)[C@H](O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(=O)C[C@H](O)C[C@H](O)/C=C/C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@@H](O)CCCN)C(=O)O

SELFIES: [C][/C][=Branch2][Branch2][#Branch2][=C][\C][=C][\C][=C][\C][C][/C][=C][/C][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][/C][=C][/C][=C][/C][=C][/C][=C][/C][=C][/C][=C][/C][C][Branch1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C@H1][Branch1][C][O][/C][=C][/C][C@@H1][Branch1][C][O][C][C@H1][Branch1][C][O][/C][=C][/C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C62H97NO15/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(77)78)61(76)48(4)59(74)37-22-18-14-9-7-5-6-8-13-17-21-36-58(73)47(3)60(75)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,37,45,47-59,61,64-74,76H,11,15,26,30-31,33,35-36,38-44,63H2,1-4H3,(H,77,78)/b6-5+,9-7+,12-10+,13-8+,18-14+,20-16+,21-17+,27-19+,29-23+,32-24+,34-25+,37-22+,46-28+/t45?,47?,48-,49+,50+,51+,52+,53-,54+,55-,56-,57+,58?,59+,61-/m0/s1

Molecular Properties:
- Polar Surface Area: 323.0 Ų
- LogP: 2.7