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GL3

CAT: 0931-TN1074-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1074-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60037-39-0
Target
Others
Related Pathways
Others
Purity
0.9942
Bioactivity
GL3 encodes a bHLH protein that regulates trichome development in arabidopsis through interaction with GL1 and TTG1.
Smiles
[H][C@@]1(O[C@@H]2OC=C([C@@H](CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(OC(=O)C[C@H]5\C(=C/C)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC)cc4)[C@H](O)[C@@H](O)[C@@H]3O)\C2=C/C)C(=O)OC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C48H64O27
Molecular Weight
1073.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nuezhenoside G13

SMSRUMQQXKEQCV-NKRYKJGSSA-N has been reported in Fraxinus excelsior and Ligustrum lucidum with data available.

CAS Number60037-39-0
PubChem CID102196658
IUPAC Namemethyl (4S,5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-6-[2-[4-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxyphenyl]ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Molecular FormulaC48H64O27
Molecular Weight1073.0
XLogP-3.9
Topological Polar Surface Area402
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count27
Rotatable Bond Count23
Heavy Atom Count75
Formal Charge0
Complexity2050
SMILES
C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OCCC4=CC=C(C=C4)OC(=O)C[C@@H]\5C(=CO[C@H](/C5=C/C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C(=O)OC)O)O)O
InChI
InChI=1S/C48H64O27/c1-5-22-24(26(42(62)64-3)17-68-44(22)74-47-40(60)36(56)33(53)28(15-49)71-47)13-31(51)67-19-30-35(55)38(58)39(59)46(73-30)66-12-11-20-7-9-21(10-8-20)70-32(52)14-25-23(6-2)45(69-18-27(25)43(63)65-4)75-48-41(61)37(57)34(54)29(16-50)72-48/h5-10,17-18,24-25,28-30,33-41,44-50,53-61H,11-16,19H2,1-4H3/b22-5+,23-6+/t24-,25-,28+,29+,30+,33+,34+,35+,36-,37-,38-,39+,40+,41+,44-,45-,46+,47-,48-/m0/s1
InChIKey
SMSRUMQQXKEQCV-NKRYKJGSSA-N
Chemical Structure
2D Structure
2D structure of Nuezhenoside G13
CAS: 60037-39-0
CID: 102196658
Formula: C48H64O27
MW: 1073.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1073.0
XLogP3-3.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count27
Rotatable Bond Count23
Exact Mass1072.36349676
Monoisotopic Mass1072.36349676
Topological Polar Surface Area402 Ų
Heavy Atom Count75
Formal Charge0
Complexity2050
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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