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Sinocrassoside C1

CAT: 1410-M29463-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M29463-01Size:2 mg
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Description
Sinocrassoside C1 is the methanolic extract of the whole plant of Sinocrassula indica (Crassulaceae), six new flavonol glycosides.
CAS Number
909803-26-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1219.02
Molecular Formula
C54H58O32
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Sinocrassoside C1

5,8-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one has been reported in Sinocrassula indica and Sedum sarmentosum with data available.

CAS Number909803-26-5
PubChem CID25112363
IUPAC Name5,8-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC27H30O16
Molecular Weight610.5
XLogP-0.9
Topological Polar Surface Area266
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity1020
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C27H30O16/c1-8-15(31)19(35)21(37)26(39-8)40-12-6-11(30)14-18(34)25(43-27-22(38)20(36)16(32)13(7-28)41-27)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19-22,26-33,35-38H,7H2,1H3/t8-,13+,15-,16+,19+,20-,21+,22+,26-,27-/m0/s1
InChIKey
QYECIBJZFSVSHH-CPBWYJGASA-N
Chemical Structure
2D Structure
2D structure of Sinocrassoside C1
CAS: 909803-26-5
CID: 25112363
Formula: C27H30O16
MW: 610.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.5
XLogP3-0.9
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count6
Exact Mass610.15338487
Monoisotopic Mass610.15338487
Topological Polar Surface Area266 Ų
Heavy Atom Count43
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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