Phytochemical: (2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

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Prediction Swissadme	0.0
Topological Polar Surface Area	234.0
Hydrogen Bond Donor Count	8.0
Inchi Key	GWGCLAPQWQQBET-XVRHJSCPSA-N
Fcsp3	0.5666666666666667
Rotatable Bond Count	8.0
Heavy Atom Count	45.0
Compound Name	(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Prediction Hob Swissadme	0.0
Exact Mass	638.221
Formal Charge	0.0
Monoisotopic Mass	638.221
Isotope Atom Count	0.0
Molecular Complexity	979.0
Hydrogen Bond Acceptor Count	15.0
Molecular Weight	638.6
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	11.0
Iupac Name	(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Total Atom Stereocenter Count	11.0
Total Bond Stereocenter Count	0.0
Prediction Hob	0.0
Esol	-3.1537711333333345
Inchi	InChI=1S/C30H38O15/c1-11-20(33)19-15(32)8-16(13-4-6-14(40-3)7-5-13)42-28(19)12(2)27(11)45-30-26(39)24(37)22(35)18(44-30)10-41-29-25(38)23(36)21(34)17(9-31)43-29/h4-7,16-18,21-26,29-31,33-39H,8-10H2,1-3H3/t16-,17+,18+,21+,22+,23+,24+,25+,26+,29+,30-/m0/s1
Smiles	CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C)O[C@@H](CC2=O)C5=CC=C(C=C5)OC)O
Xlogp	-0.5
Defined Bond Stereocenter Count	0.0
Molecular Formula	C30H38O15

1. Outgoing r'ship FOUND_IN to/from Rhododendron Simsii (Plant) Rel Props:Source_db:cmaup_ingredients

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