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Complanatoside B

CAT: 0013-GTR19156152-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156152-05Size:10 mg
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Description
Complanatoside B is a natural product
CAS Number
142473-99-2
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
COC1=CC (=C2C (=C1) OC (=C (C2=O) O[C@H]3[C@@H] ([C@H] ([C@@H] ([C@H] (O3) CO) O) O) O[C@H]4[C@@H] ([C@] (CO4) (CO) O) O) C5=CC=C (C=C5) O[C@H]6[C@@H] ([C@H] ([C@@H] ([C@H] (O6) CO) O) O) O) O
Molecular Formula
C33H40O20
Molecular Weight
756.66
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Complanatoside B

Complanatoside B has been reported in Phyllolobium chinense with data available.

CAS Number142473-99-2
PubChem CID10440090
IUPAC Name3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Molecular FormulaC33H40O20
Molecular Weight756.7
XLogP-2
Topological Polar Surface Area313
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count11
Heavy Atom Count53
Formal Charge0
Complexity1280
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
InChI
InChI=1S/C33H40O20/c1-46-14-6-15(37)19-16(7-14)49-26(12-2-4-13(5-3-12)48-30-25(43)23(41)20(38)17(8-34)50-30)27(22(19)40)52-31-28(24(42)21(39)18(9-35)51-31)53-32-29(44)33(45,10-36)11-47-32/h2-7,17-18,20-21,23-25,28-32,34-39,41-45H,8-11H2,1H3/t17-,18-,20-,21-,23+,24+,25-,28-,29+,30-,31+,32+,33-/m1/s1
InChIKey
YCXFPUHHUJNTNY-CUCHOISXSA-N
Chemical Structure
2D Structure
2D structure of Complanatoside B
CAS: 142473-99-2
CID: 10440090
Formula: C33H40O20
MW: 756.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight756.7
XLogP3-2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count11
Exact Mass756.21129366
Monoisotopic Mass756.21129366
Topological Polar Surface Area313 Ų
Heavy Atom Count53
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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