Virgaureasaponin 1
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Virgaureasaponin 1
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CAS No:
112515-98-7
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Formula:
C59H96O27
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Chemical Name:
Virgaureasaponin 1
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Synonyms:
Olean-12-en-28-oic acid,3-(β-D-glucopyranosyloxy)-2,16,23-trihydroxy-,O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl ester,(2β,3β,4α,16α)-;Virgaureasaponin 1;Bellidiastroside D1;Bellissaponin BS2;Bernardioside D;172929-35-0
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CAS No:
Computed Properties
Molecular Weight:1237.4
XLogP3:-1.9
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:27
Rotatable Bond Count:13
Exact Mass:1236.61389778
Monoisotopic Mass:1236.61389778
Topological Polar Surface Area:433
Heavy Atom Count:86
Complexity:2420
Defined Atom Stereocenter Count:34
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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