Phytochemical: (2S,4aR,6bR,10S,12aR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid

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Prediction Swissadme	0.0
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3.0
Inchi Key	JTBGJQZJEYVBJZ-NWNUJMDISA-N
Fcsp3	0.9
Rotatable Bond Count	1.0
Heavy Atom Count	34.0
Compound Name	(2S,4aR,6bR,10S,12aR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Prediction Hob Swissadme	0.0
Exact Mass	472.355
Formal Charge	0.0
Monoisotopic Mass	472.355
Isotope Atom Count	0.0
Molecular Complexity	923.0
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	472.7
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	6.0
Iupac Name	(2S,4aR,6bR,10S,12aR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Prediction Hob	1.0
Esol	-6.573002000000002
Inchi	InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21?,22-,23?,26-,27+,28-,29?,30+/m0/s1
Smiles	C[C@@]12CCC3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1C[C@](CC2O)(C)C(=O)O)C
Xlogp	6.1
Defined Bond Stereocenter Count	0.0
Molecular Formula	C30H48O4

1. Outgoing r'ship FOUND_IN to/from Abrus Precatorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
2. Outgoing r'ship FOUND_IN to/from Tripterygium Hypoglaucum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Tripterygium Regelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all

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