Protogracillin

CAT: 1410-M27957-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1410-M27957-05Size:50 mg

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Description

Protogracillin is a steroidal saponin isolated from Dioscorea zingiberensis Wright (DZW) which may inhibit platelet aggregation (PAG) and thrombosis. Steroidal saponins from DZW rhizomes have the potential to reduce the risk of cardiovascular diseases by anti-thrombotic action.

CAS Number

54848-30-5

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

1065.2

Molecular Formula

C51H84O23

Notes

Research use only, not for human use.

Receptor

Ca (2+) receptor

Chemical Information

Protogracillin

Protogracillin is a steroid saponin.

CAS Number	54848-30-5
PubChem CID	441892
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Formula	C51H84O23
Molecular Weight	1065.2
XLogP	-1.2
Topological Polar Surface Area	366
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	15
Heavy Atom Count	74
Formal Charge	0
Complexity	1920

SMILES

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O

InChI

InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1

InChIKey

GMCGZPQYTRHQRU-DKWQWWTLSA-N

Chemical Structure

2D Structure

CAS: 54848-30-5

CID: 441892

Formula: C51H84O23

MW: 1065.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1065.2
XLogP3	-1.2
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	15
Exact Mass	1064.54033892
Monoisotopic Mass	1064.54033892
Topological Polar Surface Area	366 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	1920
Isotope Atom Count	0
Defined Atom Stereocenter Count	31
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TBZ0756	Protogracillin
HY-N4277-01	Methyl protogracillin

Protogracillin

Chemical Information

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