6-O-Veratroylcatalpol

[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3,4-dimethoxybenzoate

Also Known As: 6-O-Veratroylcatalpol|6-O-Veratroyylcatalpol|6-O-Veratroyl Catalpol|6-O-Veratryl catalposide|KST-1A6986|NP3901|J1.025.719K|[(1S,2S,4S,5S,6R,10S)-2-(Hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3,4-dimethoxybenzoate|(1as,1bs,2s,5ar,6s,6as)-2-(|A-d-glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3,4-dimethoxybenzoate|(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3,4-dimethoxybenzoate|(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl 3,4-dimethoxybenzoate|[(1aS)-1a,1balpha,2,5aalpha,6,6abeta-Hexahydro-6alpha-[(3,4-dimethoxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside|2-(Hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3,4-dimethoxybenzoate|beta-D-Glucopyranoside, 6-((3,4-dimethoxybenzoyl)oxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta.,2.beta,5abeta,6beta,6aalpha))-

Molecular Formula	C24H30O13
Molecular Weight	526.16864 g/mol
LogP	-1.0
Topological Polar Surface Area	186.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	9
Exact Mass	526.16864
Monoisotopic Mass	526.16864
Heavy Atoms	37
Complexity	854.0

Chemical Identifiers

CAS Number	635-91-6
SMILES	COC1=C(C=C(C=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC
InChIKey	JPLOCWOFCUFHBG-PIAIVMLOSA-N