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Yadanzioside F

CAT: 0127-BUP20828-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20828-01Size:1 mg
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CAS Number
95258-11-0
Purity
=98%
Smiles
OCC=1OC(=CC1)C2=NC=CC=3C4=CC=CC=C4NC23

Chemical Information

Yadanzioside F

yadanzioside F has been reported in Momordica cochinchinensis with data available.

CAS Number95258-11-0
PubChem CID44584516
IUPAC Namemethyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Molecular FormulaC29H38O16
Molecular Weight642.6
XLogP-1.3
Topological Polar Surface Area245
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity1320
SMILES
C[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC
InChI
InChI=1S/C29H38O16/c1-9-11-5-14-28-8-41-29(26(39)40-4,22(28)20(24(38)45-14)42-10(2)31)23(37)19(36)21(28)27(11,3)6-12(15(9)32)43-25-18(35)17(34)16(33)13(7-30)44-25/h6,9,11,13-14,16-23,25,30,33-37H,5,7-8H2,1-4H3/t9-,11-,13+,14+,16+,17-,18+,19+,20+,21+,22+,23-,25+,27-,28+,29+/m0/s1
InChIKey
BYBDRFPMKPUWDZ-FDSGHLLVSA-N
Chemical Structure
2D Structure
2D structure of Yadanzioside F
CAS: 95258-11-0
CID: 44584516
Formula: C29H38O16
MW: 642.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight642.6
XLogP3-1.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass642.21598512
Monoisotopic Mass642.21598512
Topological Polar Surface Area245 Ų
Heavy Atom Count45
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes