(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid
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![(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b8470972976a4892886ecdeff1edf3ee.png "(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid")
(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid
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CAS No:
25480-74-4
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Formula:
C51H82O21
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Chemical Name:
(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid
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Synonyms:
Olean-12-en-28-oic acid,3-[(O-β-D-glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxy-,(3β,16α)-;Musennin;(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid;NSC 106554;1392-56-9;27013-92-9
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CAS No:
(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid Basic Attributes
1031.2 g/mol
1031.18
106554
Computed Properties
Molecular Weight:1031.2
XLogP3:0.7
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:10
Exact Mass:1030.53485962
Monoisotopic Mass:1030.53485962
Topological Polar Surface Area:334
Heavy Atom Count:72
Complexity:1990
Undefined Atom Stereocenter Count:26
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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