Balanitoside

2-[4-hydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Also Known As: Balanitoside|Protodeltonin|Protodeltonin [M+H]+|(3beta)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl-O-6-deoxy-alphANLG -L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranoside|2-[4-Hydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|26-O-beta-D-Glucopyranosyl-3beta,22,26-trihydroxyfurost-5-ene 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside|beta-D-Glucopyranoside, (3beta)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-|beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-|(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|2-(4-hydroxy-6-(hydroxymethyl)-2-((6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybutyl)-5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-en-16-yl)oxy)-5-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triol|26-O-beta-D-glucopyranosyl-3 beta,22,26-trihydroxy-furost-5-ene 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside|3-{[6-Deoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranosyl]oxy}-22-hydroxyfurost-5-en-27-yl hexopyranoside

Molecular Formula	C51H84O23
Molecular Weight	1064.5403 g/mol
LogP	-1.8
Topological Polar Surface Area	366.0 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	23
Rotatable Bonds	15
Exact Mass	1064.5403
Monoisotopic Mass	1064.5403
Heavy Atoms	74
Complexity	1920.0

Chemical Identifiers

CAS Number	94992-08-2
SMILES	CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O
InChIKey	RPYHJEFMMXMMHG-UHFFFAOYSA-N