Pfafforside B

[1-[16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate

Also Known As: Pfafforside B|Stichloroside A|Pfaffoside B|TP2434|[1-[16-[5-[4-[3,5-Dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate|Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4)-O-(O-3-O-methyl-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->2))-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,9beta,23S)-

Molecular Formula	C68H110O33
Molecular Weight	1454.693 g/mol
LogP	-1.8
Topological Polar Surface Area	485.0 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	33
Rotatable Bonds	24
Exact Mass	1454.693
Monoisotopic Mass	1454.693
Heavy Atoms	101
Complexity	2820.0

Chemical Identifiers

CAS Number	78244-75-4
SMILES	CC(C)CC(CC1(C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)OC)O)O)O)OC9C(C(C(CO9)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)OC)O)O)O)O)C)C(=O)O1)C)C)OC(=O)C
InChIKey	UTTMVFMTWNLRGZ-UHFFFAOYSA-N