Phytochemical: (1S,4R,5R,6R,8R,10R,12S,13S,16R,21R)-3',4,6,12,17,17-hexamethylspiro[9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane-8,5'-furan]-2',18-dione

Connections displayed (default: 10).

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Prediction Swissadme	0.0
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0.0
Inchi Key	ULWBDUNMGKITLY-CEWFTGPGSA-N
Fcsp3	0.8666666666666667
Rotatable Bond Count	0.0
Heavy Atom Count	34.0
Compound Name	(1S,4R,5R,6R,8R,10R,12S,13S,16R,21R)-3',4,6,12,17,17-hexamethylspiro[9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane-8,5'-furan]-2',18-dione
Prediction Hob Swissadme	0.0
Exact Mass	466.308
Formal Charge	0.0
Monoisotopic Mass	466.308
Isotope Atom Count	0.0
Molecular Complexity	1040.0
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	466.7
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	10.0
Iupac Name	(1S,4R,5R,6R,8R,10R,12S,13S,16R,21R)-3',4,6,12,17,17-hexamethylspiro[9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane-8,5'-furan]-2',18-dione
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Prediction Hob	0.0
Esol	-6.891304400000001
Inchi	InChI=1S/C30H42O4/c1-17-13-30(14-18(2)24(32)34-30)33-19-15-27(6)21-8-7-20-25(3,4)22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h14,17,19-21,23H,7-13,15-16H2,1-6H3/t17-,19-,20+,21+,23+,26-,27+,28-,29+,30-/m1/s1
Smiles	C[C@@H]1C[C@@]2(C=C(C(=O)O2)C)O[C@H]3[C@H]1[C@]4(CC[C@@]56C[C@@]57CCC(=O)C([C@@H]7CC[C@H]6[C@@]4(C3)C)(C)C)C
Xlogp	6.6
Defined Bond Stereocenter Count	0.0
Molecular Formula	C30H42O4

1. Outgoing r'ship FOUND_IN to/from Aloe Perryi (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Hibiscus Vitifolius (Plant) Rel Props:Source_db:cmaup_ingredients

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