Tenuifoliose K

CAT: 0931-TN7972-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN7972-01Size:10 mg

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CAS Number

147742-16-3

Bioactivity

Tenuifoliose K is an oligosaccharide that can be isolated from Polygala tenuifolia.

Smiles

O=C(OCC1(OC2OC(CO)C(OC(=O)C=CC3=CC=C(O)C=C3)C(OC4OC(COC(=O)C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C2OC6OC(CO)C(O)C(O)C6O)OC(CO)C(O)C1OC(=O)C=7C=CC=CC7)C=CC8=CC=C(O)C=C8

Molecular Formula

C57H70O32

Molecular Weight

1267.15

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate

UVIGZMKEASPUPP-VHIGNBJSSA-N has been reported in Polygala tenuifolia with data available.

CAS Number	147742-16-3
PubChem CID	10329020
IUPAC Name	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
Molecular Formula	C57H70O32
Molecular Weight	1267.1
XLogP	-2.9
Topological Polar Surface Area	492
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	32
Rotatable Bond Count	27
Heavy Atom Count	89
Formal Charge	0
Complexity	2310

SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)/C=C/C6=CC=C(C=C6)O)CO)OC(=O)/C=C/C7=CC=C(C=C7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O

InChI

InChI=1S/C57H70O32/c1-25(62)77-23-35-40(69)48(84-53-44(73)42(71)38(67)31(19-58)79-53)46(75)55(82-35)85-49-47(83-37(66)18-12-27-9-15-30(64)16-10-27)34(22-61)81-56(50(49)86-54-45(74)43(72)39(68)32(20-59)80-54)89-57(24-78-36(65)17-11-26-7-13-29(63)14-8-26)51(41(70)33(21-60)88-57)87-52(76)28-5-3-2-4-6-28/h2-18,31-35,38-51,53-56,58-61,63-64,67-75H,19-24H2,1H3/b17-11+,18-12+/t31-,32-,33-,34-,35-,38-,39-,40-,41-,42+,43+,44-,45-,46-,47-,48+,49+,50-,51+,53+,54+,55+,56-,57+/m1/s1

InChIKey

UVIGZMKEASPUPP-VHIGNBJSSA-N

Chemical Structure

2D Structure

CAS: 147742-16-3

CID: 10329020

Formula: C57H70O32

MW: 1267.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1267.1
XLogP3	-2.9
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	32
Rotatable Bond Count	27
Exact Mass	1266.3850200
Monoisotopic Mass	1266.3850200
Topological Polar Surface Area	492 Å²
Heavy Atom Count	89
Formal Charge	0
Complexity	2310
Isotope Atom Count	0
Defined Atom Stereocenter Count	24
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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