Boschnaloside

PubChem CID: 155942

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Compound Synonyms	Boschnaloside, 8-Epiiridotrial glucoside, 72963-55-4, (1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde, Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S,4aS,7R,7aR)-, Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S-(1alpha,4aalpha,7beta,7aalpha))-, CHEBI:2320, SCHEMBL9058000, CHEMBL3622813, DTXSID70993733, AKOS040763311, LMPR0102070023, NS00093968, Q27105630, 4-Formyl-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl hexopyranoside
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	126.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	C1CCC(CC2CCCC3CCCC32)CC1
Np Classifier Class	Iridoids monoterpenoids
Deep Smiles	O=CC=CO[C@H][C@H][C@@H]6CC[C@H]5C))))))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O
Heavy Atom Count	24.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC(OC2OCCC3CCCC32)OC1
Classyfire Subclass	Terpene glycosides
Isotope Atom Count	0.0
Molecular Complexity	494.0
Database Name	imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	9.0
Uniprot Id	P23219, P35354
Iupac Name	(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	-0.4
Gsk 4 400 Rule	True
Molecular Formula	C16H24O8
Scaffold Graph Node Bond Level	C1=CC2CCCC2C(OC2CCCCO2)O1
Inchi Key	MRIFZKMKTDPBHR-XLOWEYQUSA-N
Silicos It Class	Soluble
Rotatable Bond Count	4.0
Synonyms	boschnaloside
Esol Class	Very soluble
Functional Groups	CO, CO[C@H](C)O[C@H]1CCC(C=O)=CO1
Compound Name	Boschnaloside
Exact Mass	344.147
Formal Charge	0.0
Monoisotopic Mass	344.147
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	344.36
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Inchi	InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1
Smiles	C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Monoterpenoids

1. Outgoing r'ship FOUND_IN to/from Andrographis Alata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Arnica Mollis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Blumea Mollis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Boronia Alata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Brucea Mollis (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Cassia Alata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Castilleja Sulphurea (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Coleus Barbatus (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Crotalaria Alata (Plant) Rel Props:Reference:
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12. Outgoing r'ship FOUND_IN to/from Dioscorea Alata (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Diospyros Mollis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Elephantopus Mollis (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Grewia Mollis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Helianthus Mollis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Incarvillea Emodi (Plant) Rel Props:Reference:ISBN:9770972795006
21. Outgoing r'ship FOUND_IN to/from Lagascea Mollis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Laggera Alata (Plant) Rel Props:Reference:
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24. Outgoing r'ship FOUND_IN to/from Mimosa Tenuiflora (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Minthostachys Mollis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Murraya Alata (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Onoseris Alata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Pedicularis Mollis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Penstemon Gentianoides (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Penstemon Linarioides (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Penstemon Newberryi (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Penstemon Secundiflorus (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Picrorhiza Kurroa (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075
36. Outgoing r'ship FOUND_IN to/from Plectranthus Barbatus (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Plectranthus Mollis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Pterygota Alata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Pulmonaria Mollis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Scirpus Barbatus (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Sophora Mollis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Synotis Alata (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Teramnus Mollis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Terminalia Alata (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Thermopsis Mollis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Thunbergia Alata (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Vitex Altissima (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Vitex Glabrata (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Vitex Leucoxylon (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Vitex Limonifolia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Vitex Lucens (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Vitex Madiensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Vitex Megapotamica (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Vitex Peduncularis (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Vitex Pinnata (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Vitex Quinata (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Vitex Rotundifolia (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Vitex Trifolia (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Wyethia Mollis (Plant) Rel Props:Reference:

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Boschnaloside

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Phytochemical Properties

Associated Connections 63

Plant Connections 63