Fusacandin b

Formula: C41H60O20
Molecular weight: 872.90
Smiles: CCCCCC=CC=CC(CC=CC=CC(=O)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO)C4=C(C=C(C=C4O)O)CO)O)O

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Fusacandin b

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Fusacandin b
First synonym: Fusacandin b
Synonyms: Fusacandin B,166407-34-7,[(2S,3S,4R,5R,6R)-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate,D-Glucitol, O-beta-D-galactopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-3)-1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-, 3-((2E,4E,7S,8E,10E)-7-hydroxy-2,4,8,10-hexadecatetraenoate)

Smiles: CCCCCC=CC=CC(CC=CC=CC(=O)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO)C4=C(C=C(C=C4O)O)CO)O)O
Isomeric smiles: CCCCC/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)C4=C(C=C(C=C4O)O)CO)O)O
Inchi: InChI=1S/C41H60O20/c1-2-3-4-5-6-7-9-12-22(46)13-10-8-11-14-28(49)59-38-35(55)37(29-21(17-42)15-23(47)16-24(29)48)56-27(20-45)36(38)60-41-39(33(53)31(51)26(19-44)58-41)61-40-34(54)32(52)30(50)25(18-43)57-40/h6-12,14-16,22,25-27,30-48,50-55H,2-5,13,17-20H2,1H3/b7-6+,10-8+,12-9+,14-11+/t22?,25-,26-,27-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39-,40+,41+/m1/s1
Inchikey: DEPSCDXHCFJSQZ-QICRFORPSA-N

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Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

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Category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

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Category	Sub category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
557	Fusarium sambucinum AB 1910A-1314