Phytochemical: [(9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate

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Prediction Swissadme	0.0
Topological Polar Surface Area	102.0
Hydrogen Bond Donor Count	1.0
Inchi Key	BKGUPIVDQHHVMV-YGJCYCPNSA-N
Fcsp3	0.4642857142857143
Rotatable Bond Count	7.0
Heavy Atom Count	37.0
Compound Name	[(9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate
Prediction Hob Swissadme	0.0
Exact Mass	514.22
Formal Charge	0.0
Monoisotopic Mass	514.22
Isotope Atom Count	0.0
Molecular Complexity	832.0
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	514.6
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	2.0
Iupac Name	[(9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	1.0
Prediction Hob	0.0
Esol	-5.681140200000002
Inchi	InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26?,28-/m0/s1
Smiles	C/C=C(/C)\C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@]1(C)O)C)OCO4)OC)OC)OC)OC
Xlogp	4.6
Defined Bond Stereocenter Count	1.0
Molecular Formula	C28H34O9

1. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Schisandra Henryi (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients

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