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Platyphyllonol-5-O-Beta-D-Xylopyranoside

PubChem CID: 10599483

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Compound Synonyms 288141-04-8, (5S)-1,7-bis(4-hydroxyphenyl)-5-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyheptan-3-one, (5S)-1,7-bis(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one, CHEMBL2346809, AKOS040762862, Platyphyllonol 5-O-??-D-xylopyranoside, Platyphyllonol-5-O-Beta-D-Xylopyranoside
Topological Polar Surface Area 137.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 556.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name (5S)-1,7-bis(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one
Prediction Hob 0.0
Xlogp 1.2
Molecular Formula C24H30O8
Prediction Swissadme 0.0
Inchi Key GTGWRSYHHGXYAS-QOXFPCGXSA-N
Fcsp3 0.4583333333333333
Logs -2.622
Rotatable Bond Count 10.0
Logd 1.224
Compound Name Platyphyllonol-5-O-Beta-D-Xylopyranoside
Prediction Hob Swissadme 0.0
Exact Mass 446.194
Formal Charge 0.0
Monoisotopic Mass 446.194
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 446.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -3.0006752000000008
Inchi InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1
Smiles C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](CCC2=CC=C(C=C2)O)CC(=O)CCC3=CC=C(C=C3)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0