Phytochemical: (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol

Connections displayed (default: 10).

Loading graph...

Prediction Swissadme	0.0
Topological Polar Surface Area	118.0
Hydrogen Bond Donor Count	4.0
Inchi Key	WXMARHKAXWRNDM-DLIJFQGMSA-N
Fcsp3	0.9393939393939394
Rotatable Bond Count	3.0
Heavy Atom Count	41.0
Compound Name	(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
Prediction Hob Swissadme	0.0
Exact Mass	576.366
Formal Charge	0.0
Monoisotopic Mass	576.366
Isotope Atom Count	0.0
Molecular Complexity	1030.0
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	576.8
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	8.0
Iupac Name	(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
Total Atom Stereocenter Count	16.0
Total Bond Stereocenter Count	0.0
Prediction Hob	0.0
Esol	-5.788380200000001
Inchi	InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17?,18?,20-,21?,22?,23?,24?,25+,26?,27+,28+,29+,30+,31-,32-,33?/m0/s1
Smiles	CC1CCC2(C(C3C(O2)CC4[C@@]3(CCC5C4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1
Xlogp	4.1
Defined Bond Stereocenter Count	0.0
Molecular Formula	C33H52O8

1. Outgoing r'ship FOUND_IN to/from Dioscorea Nipponica (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Dioscorea Zingiberensis (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Trillium Tschonoskii (Plant) Rel Props:Source_db:cmaup_ingredients

GRAYU Website