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uttronin A

uttronin A structure

CAS No:
39941-51-0
Formula:
C50H82O22
Chemical Name:
uttronin A
Synonyms:
uttronin A;(25R)-3β-[[4-O-[2-O-(β-D-Glucopyranosyl)-3-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]-β-D-galactopyranosyl]oxy]-5α-spirostane;(25R)-3β-[4-O-(2-O-β-D-Glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranosyloxy]-5α-spirostane;[(25R)-5α-Spirostan-3β-yl]4-O-(2-O-β-D-glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranoside;[(25R)-5α-Spirostan-3β-yl]4-O-[2-O-(β-D-glucopyranosyl)-3-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]-β-D-galactopyranoside;beta-Lycotetraosyltigogenin;Degalactotigonin;Dihydroaspidistrin
Categories:
Analytical Chemistry > Standard

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uttronin A Basic Attributes

Molecular Weight：

1035.184

Exact Mass：

1034.53000

DSSTox ID：

DTXSID90276515

Characteristics

PSA：

335

XLogP3：

-0.4

Density：

1.49

Melting Point：

284-286℃

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

degalactotigonin

Computed Properties

Molecular Weight:1035.2
XLogP3:-0.4
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:11
Exact Mass:1034.52977424
Monoisotopic Mass:1034.52977424
Topological Polar Surface Area:335
Heavy Atom Count:72
Complexity:1840
Defined Atom Stereocenter Count:31
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes