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Sagittatoside B

CAT: 0804-HY-N0874-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0874-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Arrowhead glycoside B (Sagittatoside B) is a natural compound extracted from the plant Epimedium.
CAS Number
118525-36-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Sagittatoside-B.html
Purity
99.19
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=CC(O)=C2C(OC(C3=CC=C(OC)C=C3)=C(O[C@H](O[C@@H](C)[C@H](O)[C@H]4O)[C@@H]4O[C@@](OC[C@@H](O)[C@@H]5O)([H])[C@@H]5O)C2=O)=C1C/C=C(C)\C
Molecular Formula
C32H38O14
Molecular Weight
646.64
References & Citations
[1]Chen Y, et al. Role of intestinal hydrolase in the absorption of prenylated flavonoids present in Yinyanghuo. Molecules. 2011 Feb 1;16 (2) :1336-48.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Sagittatoside B

Sagittatoside B is a glycoside and a member of flavonoids.

CAS Number118525-36-3
PubChem CID10146160
IUPAC Name3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC32H38O14
Molecular Weight646.6
XLogP1.9
Topological Polar Surface Area214
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1120
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O
InChI
InChI=1S/C32H38O14/c1-13(2)5-10-17-18(33)11-19(34)21-24(38)29(27(44-28(17)21)15-6-8-16(41-4)9-7-15)45-32-30(25(39)22(36)14(3)43-32)46-31-26(40)23(37)20(35)12-42-31/h5-9,11,14,20,22-23,25-26,30-37,39-40H,10,12H2,1-4H3/t14-,20+,22-,23-,25+,26+,30+,31-,32-/m0/s1
InChIKey
BVDGQVAUJNUPGW-JGSSSOFVSA-N
Chemical Structure
2D Structure
2D structure of Sagittatoside B
CAS: 118525-36-3
CID: 10146160
Formula: C32H38O14
MW: 646.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight646.6
XLogP31.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass646.22615588
Monoisotopic Mass646.22615588
Topological Polar Surface Area214 Ų
Heavy Atom Count46
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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