Arbortristoside B
Grundinformationen
- CAS
97145-54-5- Standard-SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C(CO)C(O)C(OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]12- InChIKey
JVFPKSJJCQBJRO-ZIGVIQCPSA-N- Summenformel
- C26H32O15
- Durchschnittliche Molmasse
- 584,5 g/mol
- Monoisotopische Masse
- 584,17412031
Überblick
Arbortristoside B has been reported in Nyctanthes arbor-tristis with data available.
Namen und Bezeichner
- Bevorzugter Name
- Arbortristoside B
- IUPAC
- methyl (1S,4aS)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Namen und Synonyme
Arbortristoside B97145-54-5Cyclopenta(c)pyran-4-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S-(1alpha,4aalpha,5alpha(E),6alpha,7alpha,7aalpha))-methyl (1S,4aS)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylatemethyl (1S,4aS)-5-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-6-hydroxy-7-(hydroxymethyl)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4-carboxylatemethyl (1S,4aS,5S,6R,7S,7aS)-6-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-5-hydroxy-7-(hydroxymethyl)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4-carboxylatemethyl (1S,4aS,5S,6R,7S,7aS)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylateRefChem:113738Arbortristoside BDISCONTINUED
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 242 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 15
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 986
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