Cuspidoside

PubChem CID: 3032517

Connections displayed (default: 10).

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Compound Synonyms	Lokundjosid [German], Kuspidozide, Lokundjosid, Bipindogenin-L-rhamnosid [German], Bipindogenin-L-rhamnosid, 3-beta-(alpha-L-Rhamnopyranoside)-5,11-alpha,14-beta-trihydroxy-5-beta-card(20,22)enolide, 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,11-alpha,14-trihydroxy-, 11050-23-0, DTXSID70911710, 3-[(3S,5S,8R,9S,10R,11R,13R,17R)-5,11,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, NS00093790, 3-[(6-Deoxyhexopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	166.0
Hydrogen Bond Donor Count	6.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1CCC(C2CCC3C2CCC2C4CCC(CC5CCCCC5)CC4CCC23)C1
Np Classifier Class	Cardenolides
Deep Smiles	O=COCC=C5)[C@H]CCC[C@]5C)C[C@@H]O)[C@H][C@H]6CC[C@][C@]6C)CC[C@@H]C6)O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O))))))))))O)))))))))O
Heavy Atom Count	39.0
Classyfire Class	Steroids and steroid derivatives
Scaffold Graph Node Level	OC1CC(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1
Classyfire Subclass	Steroid lactones
Isotope Atom Count	0.0
Molecular Complexity	1030.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	13.0
Iupac Name	3-[(3S,5S,8R,9S,10R,11R,13R,17R)-5,11,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	-0.1
Gsk 4 400 Rule	False
Molecular Formula	C29H44O10
Scaffold Graph Node Bond Level	O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1
Prediction Swissadme	0.0
Inchi Key	WRORFDCUNLGVJF-KYPKZMEESA-N
Silicos It Class	Soluble
Fcsp3	0.896551724137931
Rotatable Bond Count	3.0
Synonyms	lokundjoside
Esol Class	Soluble
Functional Groups	CC1=CC(=O)OC1, CO, CO[C@@H](C)OC
Compound Name	Cuspidoside
Prediction Hob Swissadme	0.0
Exact Mass	552.293
Formal Charge	0.0
Monoisotopic Mass	552.293
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	552.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	14.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	False
Esol	-3.0306982000000033
Inchi	InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22-,23+,24+,25-,26+,27+,28-,29?/m0/s1
Smiles	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)C5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)C)O)O)O
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Steroids

1. Outgoing r'ship FOUND_IN to/from Convallaria Majalis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/5892457
2. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Strophanthus Divaricatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Strophanthus Eminii (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Strophanthus Gratus (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Strophanthus Hispidus (Plant) Rel Props:Reference:
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16. Outgoing r'ship FOUND_IN to/from Strophanthus Thollonii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Strophanthus Wallichii (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Strophanthus Wightianus (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Strychnos Aculeata (Plant) Rel Props:Reference:
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30. Outgoing r'ship FOUND_IN to/from Strychnos Elaeocarpa (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Strychnos Erichsonii (Plant) Rel Props:Reference:
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33. Outgoing r'ship FOUND_IN to/from Strychnos Froesii (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Strychnos Gossweileri (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Strychnos Henningsii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Strychnos Icaja (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Strychnos Ignatii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Strychnos Ledermannii (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Strychnos Ligustrina (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Strychnos Malaccensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Strychnos Minor (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Strychnos Nitida (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Strychnos Nux-Vomica (Plant) Rel Props:Source_db:npass_chem_all
44. Outgoing r'ship FOUND_IN to/from Strychnos Panamensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Strychnos Potatorum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Strychnos Spinosa (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Strychnos Splendens (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Strychnos Staudtii (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Strychnos Tabascana (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Strychnos Tricalysioides (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Strychnos Triplinervia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Strychnos Usambarensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Strychnos Vanprukii (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Strychnos Wallichiana (Plant) Rel Props:Reference:

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Cuspidoside

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Phytochemical Properties

Associated Connections 55

Plant Connections 55