Taxayuntin G

PubChem CID: 5321671

Connections displayed (default: 10).

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Compound Synonyms	Taxayuntin G, [(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-5,6,10-triacetyloxy-2,4-dihydroxy-9-(hydroxymethyl)-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-8-yl] acetate, ((2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-5,6,10-triacetyloxy-2,4-dihydroxy-9-(hydroxymethyl)-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo(f)azulen-8-yl) acetate, CHEMBL514952, 162558-97-6
Topological Polar Surface Area	186.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	40.0
Isotope Atom Count	0.0
Molecular Complexity	1080.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	10.0
Iupac Name	[(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-5,6,10-triacetyloxy-2,4-dihydroxy-9-(hydroxymethyl)-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-8-yl] acetate
Prediction Hob	0.0
Xlogp	-0.8
Molecular Formula	C28H42O12
Prediction Swissadme	0.0
Inchi Key	WUVMSPNBLYLYRM-ZOAIKBMOSA-N
Fcsp3	0.7857142857142857
Logs	-3.269
Rotatable Bond Count	10.0
Logd	0.597
Compound Name	Taxayuntin G
Prediction Hob Swissadme	0.0
Exact Mass	570.268
Formal Charge	0.0
Monoisotopic Mass	570.268
Hydrogen Bond Acceptor Count	12.0
Molecular Weight	570.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Esol	-2.207618400000002
Inchi	InChI=1S/C28H42O12/c1-12-18(34)10-28(26(6,7)36)21(12)23(35)25(40-16(5)33)27(8)20(38-14(3)31)9-19(37-13(2)30)17(11-29)22(27)24(28)39-15(4)32/h17-20,22-25,29,34-36H,9-11H2,1-8H3/t17-,18+,19+,20+,22+,23-,24+,25+,27-,28+/m1/s1
Smiles	CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@H]([C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C)CO)OC(=O)C)OC(=O)C)C)OC(=O)C)O
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Alstonia Yunnanensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Amentotaxus Yunnanensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artemisia Wallichiana (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Arthromeris Wallichiana (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Berberis Wallichiana (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Buxus Wallichiana (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Combretum Yunnanensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Gaultheria Yunnanensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Gymnosporia Wallichiana (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Helixanthera Wallichiana (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Michelia Yunnanensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Nageia Wallichiana (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Phlegmariurus Yunnanensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Pholidota Yunnanensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Pinus Wallichiana (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Pinus Yunnanensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Pleione Yunnanensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Populus Yunnanensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Pteris Wallichiana (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Rauvolfia Sumatrana (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Rauvolfia Yunnanensis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Rhodiola Wallichiana (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Rubia Wallichiana (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Sinodielsia Yunnanensis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Strychnos Wallichiana (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Taxus Baccata (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Taxus Brevifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Taxus Canadensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Taxus Cuspidata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Taxus Drupacea (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Taxus Ichiana (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Taxus Mairei (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Taxus Sumatrana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
39. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Source_db:npass_chem_all
40. Outgoing r'ship FOUND_IN to/from Taxus X (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Torreya Fargesii (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Torreya Yunnanensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Trichosanthes Wallichiana (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Ulmus Wallichiana (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Walsura Yunnanensis (Plant) Rel Props:Reference:

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Taxayuntin G

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Phytochemical Properties

Associated Connections 45

Plant Connections 45