Cordifolioside A

PubChem CID: 45359937

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Compound Synonyms	Cordifolioside A, Tinosinen, 155179-20-7, (2R,3R,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,5-diol, HY-N10084, AKOS040763523, FS-8171, DA-72335, CS-0255520, (2R,3R,4S,5R,6S)-4-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2-(hydroxymethyl)-6-(4-((E)-3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy)tetrahydro-2H-pyran-3,5-diol
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	197.0
Hydrogen Bond Donor Count	7.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	C1CCC(CC2CCCC(CC3CCCC3)C2)CC1
Np Classifier Class	Iridoids monoterpenoids
Deep Smiles	OC/C=C/cccOC))ccc6)OC)))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O[C@@H]OC[C@][C@H]5O))O)CO))))))))O
Heavy Atom Count	35.0
Classyfire Class	Organooxygen compounds
Scaffold Graph Node Level	C1CCC(OC2CC(OC3CCCO3)CCO2)CC1
Classyfire Subclass	Carbohydrates and carbohydrate conjugates
Isotope Atom Count	0.0
Molecular Complexity	666.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Iupac Name	(2R,3R,4S,5R,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,5-diol
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Organic oxygen compounds
Xlogp	-1.8
Gsk 4 400 Rule	False
Molecular Formula	C22H32O13
Scaffold Graph Node Bond Level	c1ccc(OC2CC(OC3CCCO3)CCO2)cc1
Prediction Swissadme	0.0
Inchi Key	LPFQFJKAHSGCFJ-LJIKAXRCSA-N
Silicos It Class	Soluble
Fcsp3	0.6363636363636364
Logs	-4.476
Rotatable Bond Count	10.0
Logd	3.926
Synonyms	tinosinen
Esol Class	Very soluble
Functional Groups	CO, CO[C@H](C)OC, c/C=C/C, cOC, cO[C@@H](C)OC
Compound Name	Cordifolioside A
Prediction Hob Swissadme	0.0
Exact Mass	504.184
Formal Charge	0.0
Monoisotopic Mass	504.184
Hydrogen Bond Acceptor Count	13.0
Molecular Weight	504.5
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	False
Esol	-1.3258641428571445
Inchi	InChI=1S/C22H32O13/c1-30-12-6-11(4-3-5-23)7-13(31-2)17(12)34-20-16(27)18(15(26)14(8-24)33-20)35-21-19(28)22(29,9-25)10-32-21/h3-4,6-7,14-16,18-21,23-29H,5,8-10H2,1-2H3/b4-3+/t14-,15-,16-,18+,19+,20+,21+,22-/m1/s1
Smiles	COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@](CO3)(CO)O)O)O)OC)/C=C/CO
Nring	0.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	1.0
Egan Rule	False
Np Classifier Superclass	Monoterpenoids

1. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Tinospora Capillipes (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Tinospora Cordifolia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Tinospora Craveniana (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Tinospora Crispa (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Tinospora Hainanensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
32. Outgoing r'ship FOUND_IN to/from Tinospora Smilacina (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Tinospora Tomentosa (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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Cordifolioside A

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Phytochemical Properties

Associated Connections 36

Plant Connections 36