Cistanoside

CAS

93236-42-1

Catalog Number

ACM93236421

Category

Other Products

Molecular Weight

800.75

Molecular Formula

C₃₇H₅₀O₂₀

MSDS COA Spec Sheet

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Specification

Synonyms

CISTANOSIDE A

Density

1.61 g/cm³

What is the PubChem CID of Cistanoside?

PubChem CID 71307448

What is the molecular formula of Cistanoside?

The molecular formula of Cistanoside is C36H48O20.

What is the molecular weight of Cistanoside?

The molecular weight of Cistanoside is 800.8 g/mol.

What is the IUPAC name of Cistanoside?

The IUPAC name of Cistanoside is [(2R,3S,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

What is the InChI of Cistanoside?

The InChI of Cistanoside is InChI=1S/C36H48O20/c1-15-25(42)27(44)29(46)36(52-15)56-33-26(43)22(13-37)53-35(31(33)48)51-14-23-32(55-24(41)8-5-16-3-6-18(38)20(40)11-16)28(45)30(47)34(54-23)50-10-9-17-4-7-19(39)21(12-17)49-2/h3-8,11-12,15,22-23,25-40,42-48H,9-10,13-14H2,1-2H3/b8-5+/t15-,22+,23+,25-,26+,27+,28+,29+,30+,31+,32+,33-,34+,35+,36-/m0/s1.

What is the InChIKey of Cistanoside?

The InChIKey of Cistanoside is GMWOAKCUMDWIIJ-VQBYOCCZSA-N.

What is the canonical SMILES of Cistanoside?

The canonical SMILES of Cistanoside is CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCC3C(C(C(C(O3)OCCC4=CC(=C(C=C4)O)OC)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)CO)O)O)O)O.

What is the isomeric SMILES of Cistanoside?

The isomeric SMILES of Cistanoside is C[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)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OCCC4=CC(=C(C=C4)O)OC)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)CO)O)O)O)O.

What is the XLogP3-AA value of Cistanoside?

The XLogP3-AA value of Cistanoside is -1.8.

Is Cistanoside a canonicalized compound?

Yes, Cistanoside is a canonicalized compound.

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