(3β,22α,25S)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-β-D-glucopyranoside
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(3β,22α,25S)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-β-D-glucopyranoside
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CAS No:
60478-70-8
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Formula:
C52H86O22
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Chemical Name:
(3β,22α,25S)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-β-D-glucopyranoside
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Synonyms:
β-D-Glucopyranoside,(3β,22α,25S)-26-(β-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-;Furostan,β-D-glucopyranoside deriv.;1H-Naphth[2′,1′:4,5]indeno[2,1-b]furan,β-D-glucopyranoside deriv.;(3β,22α,25S)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-β-D-glucopyranoside;Trigonelloside B;Methylprotoneodioscin;NSC 698791
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CAS No:
(3β,22α,25S)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-β-D-glucopyranoside Basic Attributes
1063.2 g/mol
1063.23
Computed Properties
Molecular Weight:1063.2
XLogP3:-0.7
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:15
Exact Mass:1062.56107437
Monoisotopic Mass:1062.56107437
Topological Polar Surface Area:335
Heavy Atom Count:74
Complexity:1920
Defined Atom Stereocenter Count:30
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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