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[2-methoxy-5-[4-oxo-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]phenyl] acetate

PubChem CID: 162908842

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Topological Polar Surface Area 141.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 34.0
Isotope Atom Count 0.0
Molecular Complexity 784.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name [2-methoxy-5-[4-oxo-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]phenyl] acetate
Prediction Hob 1.0
Xlogp 1.2
Molecular Formula C24H24O10
Prediction Swissadme 0.0
Inchi Key URVIWHAOEMBTPJ-LVPOYPBKSA-N
Fcsp3 0.3333333333333333
Logs -4.439
Rotatable Bond Count 6.0
Logd 1.741
Compound Name [2-methoxy-5-[4-oxo-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]phenyl] acetate
Prediction Hob Swissadme 0.0
Exact Mass 472.137
Formal Charge 0.0
Monoisotopic Mass 472.137
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 472.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -3.0049004941176483
Inchi InChI=1S/C24H24O10/c1-11-21(27)22(28)23(29)24(31-11)34-17-6-4-5-16-20(17)14(26)10-18(33-16)13-7-8-15(30-3)19(9-13)32-12(2)25/h4-11,21-24,27-29H,1-3H3/t11-,21-,22+,23+,24+/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=CC=CC3=C2C(=O)C=C(O3)C4=CC(=C(C=C4)OC)OC(=O)C)O)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

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