2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

PubChem CID: 3479482

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Khasianine, 32449-98-2, 11034-34-7, 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol, g-Solamarine, G2-Solamarine, gamma2-Solamarine, BCP18604, (c)micro2-Solamargine, beta2-Solamargine, CID 21573759
Topological Polar Surface Area	180.0
Hydrogen Bond Donor Count	7.0
Heavy Atom Count	51.0
Description	Alkaloid from Solanum juzepczukii (bitter potato). gamma2-Solamarine is found in root vegetables.
Isotope Atom Count	0.0
Molecular Complexity	1320.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Prediction Hob	0.0
Class	Steroids and steroid derivatives
Xlogp	2.1
Superclass	Lipids and lipid-like molecules
Subclass	Steroidal glycosides
Molecular Formula	C39H63NO11
Prediction Swissadme	0.0
Inchi Key	KRQDMAXNTWLTDZ-UHFFFAOYSA-N
Fcsp3	0.9487179487179488
Logs	-3.252
Rotatable Bond Count	5.0
State	Solid
Logd	2.98
Synonyms	g-Solamarine, g2-Solamarine, Γ2-solamarine, Khasianine, L-Rhamnopyranosyl-14-D-glucopyranose solasodine
Substituent Name	Steroidal saponin, Diterpene glycoside, Steroidal alkaloid glycoside, Spirosolane skeleton, Diterpenoid, Steroidal alkaloid, Terpene glycoside, Delta-5-steroid, Alkaloid or derivatives, O-glycosyl compound, Glycosyl compound, Disaccharide, Azaspirodecane, Piperidine, Oxane, Saccharide, Oxolane, Secondary alcohol, Polyol, Hemiaminal, 1,2-diol, Oxacycle, Azacycle, Organoheterocyclic compound, Secondary amine, Ether, Secondary aliphatic amine, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Organonitrogen compound, Amine, Alcohol, Aliphatic heteropolycyclic compound
Compound Name	2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	721.44
Formal Charge	0.0
Monoisotopic Mass	721.44
Hydrogen Bond Acceptor Count	12.0
Molecular Weight	721.9
Covalent Unit Count	1.0
Total Atom Stereocenter Count	21.0
Total Bond Stereocenter Count	0.0
Esol	-5.340459800000003
Inchi	InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3
Smiles	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1
Nring	8.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Steroidal saponins

1. Outgoing r'ship FOUND_IN to/from Solanum Acaule (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Solanum Aculeatissimum (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Solanum Aculeatum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Solanum Aethiopicum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Solanum Americanum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Solanum Andigena (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Solanum Anguivi (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Solanum Arundo (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Solanum Asperolanatum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Solanum Aviculare (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Solanum Bahamense (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Solanum Berthaultii (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Solanum Boerhaavii (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Solanum Capsicastrum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Solanum Capsicoides (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Solanum Chacoense (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Solanum Chilense (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Solanum Ciliatum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Solanum Coccineum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Solanum Crinitum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Solanum Demissum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Solanum Diflorum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Solanum Dubium (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Solanum Dulcamara (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Solanum Elaeagnifolium (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Solanum Erianthum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Solanum Euacanthum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Solanum Forskalii (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Solanum Giganteum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Solanum Incanum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Solanum Jacquini (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Solanum Jamaicense (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Solanum Jasminoides (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Solanum Khasianum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Solanum Kurzii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Solanum Laciniatum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Solanum Lanceolatum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Solanum Lasiocarpum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Solanum Laxum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Solanum Lycoicum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Solanum Lycopersicum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Solanum Mauritianum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Solanum Melongena (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Solanum Myriacanthum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Solanum Nigrum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Solanum Olgae (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Solanum Platanifolium (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Solanum Pseudocapsicum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Solanum Pseudopersicum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Solanum Pseudoquina (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Solanum Racemigerum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Solanum Sarmentosum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Solanum Sarrachoides (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Solanum Seaforthianum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Solanum Sisymbriifolium (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Solanum Sodomeum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Solanum Spirale (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Solanum Stramoniifolium (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Solanum Surattense (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Solanum Toxicarum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Solanum Transcaucasicum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Solanum Trilobatum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Solanum Tripartitum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Solanum Verbascifolium (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Solanum Viarum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Solanum Virginianum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Graph

Phytochemical Properties

Associated Connections 77

Plant Connections 77