8-hydroxy-3-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione

PubChem CID: 44339807

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL325769
Topological Polar Surface Area	174.0
Hydrogen Bond Donor Count	6.0
Heavy Atom Count	31.0
Isotope Atom Count	0.0
Molecular Complexity	685.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Uniprot Id	P03372
Iupac Name	8-hydroxy-3-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Prediction Hob	0.0
Xlogp	0.0
Molecular Formula	C21H20O10
Prediction Swissadme	0.0
Inchi Key	SJFGNHVZJUSQBX-JNHRPPPUSA-N
Fcsp3	0.3333333333333333
Logs	-4.123
Rotatable Bond Count	4.0
Logd	0.1
Compound Name	8-hydroxy-3-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Prediction Hob Swissadme	0.0
Exact Mass	432.106
Formal Charge	0.0
Monoisotopic Mass	432.106
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	432.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Esol	-2.5558138129032266
Inchi	InChI=1S/C21H20O10/c22-6-8-4-10-15(18(27)14-9(16(10)25)2-1-3-11(14)24)12(5-8)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2/t13-,17-,19+,20-,21-/m1/s1
Smiles	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Jasminum Cuspidatum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Pittosporum Undulatum (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Plagiomnium Cuspidatum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Plagiomnium Undulatum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Polygonum Affine (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Polygonum Alatum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Polygonum Aviculare (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Polygonum Barbatum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Polygonum Capitatum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
12. Outgoing r'ship FOUND_IN to/from Polygonum Cymosum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Polygonum Dichrotomum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Polygonum Flaccidum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Polygonum Hydropiper (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Polygonum Lapathifolium (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Polygonum Minus (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Polygonum Mite (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Polygonum Molle (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Polygonum Nepalense (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Polygonum Orientale (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Polygonum Paronychioides (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Polygonum Perfoliatum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Polygonum Plebeium (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Polygonum Plebejum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Polygonum Polystachyum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Polygonum Punctatum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Polygonum Recumbens (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Polygonum Rulatum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Polygonum Salicifolium (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Polygonum Serrulatum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Polygonum Suffultum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Polygonum Tortuosum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Polygonum Virginiana (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Rheum Australe (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Rheum Coreanum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Rheum Emodi (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Rheum Hotaoense (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Rheum Maximowiczii (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Rheum Moorcrofianum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Rheum Moorcroftianum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Rheum Nanum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Rheum Palmatum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Rheum Qinlingense (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Rheum Rhaponticum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Rheum Spiciforme (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Rheum Tanguticum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Rheum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
51. Outgoing r'ship FOUND_IN to/from Rheum Webbianum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Rheum Wittrocki (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference:

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8-hydroxy-3-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione

Graph

Phytochemical Properties

Associated Connections 53

Plant Connections 53