Phytochemical: [(2R,3R,4aR,6aS,6aS,6bS,8aS,9R,12aS,14aS,14bR)-3-acetyloxy-9-hydroxy-4,4,6a,6b,10,10,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,9,11,12,13,14,14a-hexadecahydropicen-2-yl] acetate

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Prediction Swissadme	0.0
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1.0
Inchi Key	FYDTTZJJSDYSCC-LSBUSQGNSA-N
Fcsp3	0.9411764705882352
Rotatable Bond Count	4.0
Heavy Atom Count	39.0
Compound Name	[(2R,3R,4aR,6aS,6aS,6bS,8aS,9R,12aS,14aS,14bR)-3-acetyloxy-9-hydroxy-4,4,6a,6b,10,10,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,9,11,12,13,14,14a-hexadecahydropicen-2-yl] acetate
Prediction Hob Swissadme	0.0
Exact Mass	544.413
Formal Charge	0.0
Monoisotopic Mass	544.413
Isotope Atom Count	0.0
Molecular Complexity	1020.0
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	544.8
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	11.0
Iupac Name	[(2R,3R,4aR,6aS,6aS,6bS,8aS,9R,12aS,14aS,14bR)-3-acetyloxy-9-hydroxy-4,4,6a,6b,10,10,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,9,11,12,13,14,14a-hexadecahydropicen-2-yl] acetate
Total Atom Stereocenter Count	11.0
Total Bond Stereocenter Count	0.0
Prediction Hob	0.0
Esol	-8.453765400000002
Inchi	InChI=1S/C34H56O5/c1-20(35)38-23-19-32(8)24(30(5,6)28(23)39-21(2)36)14-16-34(10)26(32)12-11-25-31(7)18-17-29(3,4)27(37)22(31)13-15-33(25,34)9/h22-28,37H,11-19H2,1-10H3/t22-,23-,24+,25+,26+,27-,28+,31-,32+,33+,34+/m1/s1
Smiles	CC(=O)O[C@@H]1C[C@@]2([C@@H]3CC[C@H]4[C@@]5(CCC([C@@H]([C@H]5CC[C@@]4([C@]3(CC[C@H]2C([C@H]1OC(=O)C)(C)C)C)C)O)(C)C)C)C
Xlogp	8.7
Defined Bond Stereocenter Count	0.0
Molecular Formula	C34H56O5

1. Outgoing r'ship FOUND_IN to/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Dysoxylum Acutangulum (Plant) Rel Props:Source_db:cmaup_ingredients

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