Phytochemical: (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8R,10R,12R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

Connections displayed (default: 10).

Loading graph...

Prediction Swissadme	0.0
Topological Polar Surface Area	129.0
Hydrogen Bond Donor Count	5.0
Inchi Key	COZUZLCKOUNNJQ-FDVDDSCGSA-N
Fcsp3	1.0
Rotatable Bond Count	4.0
Heavy Atom Count	44.0
Compound Name	(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8R,10R,12R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Prediction Hob Swissadme	0.0
Exact Mass	622.444
Formal Charge	0.0
Monoisotopic Mass	622.444
Isotope Atom Count	0.0
Molecular Complexity	1080.0
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	622.9
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	9.0
Iupac Name	(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8R,10R,12R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Total Atom Stereocenter Count	15.0
Total Bond Stereocenter Count	0.0
Prediction Hob	0.0
Esol	-6.770580800000002
Inchi	InChI=1S/C36H62O8/c1-31(2)13-9-14-36(8,44-31)20-10-16-35(7)26(20)21(38)18-24-33(5)15-12-25(32(3,4)23(33)11-17-34(24,35)6)43-30-29(41)28(40)27(39)22(19-37)42-30/h20-30,37-41H,9-19H2,1-8H3/t20?,21-,22-,23?,24?,25+,26?,27-,28-,29-,30+,33+,34-,35?,36?/m1/s1
Smiles	C[C@]12CC[C@@H](C(C1CC[C@@]3(C2C[C@H](C4C3(CCC4C5(CCCC(O5)(C)C)C)C)O)C)(C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O
Xlogp	5.3
Defined Bond Stereocenter Count	0.0
Molecular Formula	C36H62O8

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

GRAYU Website