29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate
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29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate
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CAS No:
65931-92-2
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Formula:
C42H66O15
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Chemical Name:
29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate
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Synonyms:
Olean-12-ene-28,29-dioic acid,3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester,(3β,4α,20β)-;29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate;Phytolaccoside D;Esculentoside C;65608-02-8
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CAS No:
29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate Basic Attributes
810.968
810.96
Computed Properties
Molecular Weight:811.0
XLogP3:1.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:810.44017139
Monoisotopic Mass:810.44017139
Topological Polar Surface Area:242
Heavy Atom Count:57
Complexity:1570
Defined Atom Stereocenter Count:19
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate
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