Saikogenin A

PubChem CID: 99651

Connections displayed (default: 10).

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Compound Synonyms	Saikogenin A, 5092-09-1, (3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol, NSC 258312, (3beta,4alpha,16beta)-Oleana-11,13(18)-diene-3,16,23,28-tetrol, saikogenin A, (3beta,4alpha,16alpha)-isomer, SCHEMBL8161403, CHEMBL3792476, HY-N6584, (3 beta,4 alpha,16 beta)-oleana-11,13(18)-diene-3,16,23,28-tetrol, AKOS040742607, MS-28756, CS-0034285, G12539
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Np Classifier Class	Oleanane triterpenoids
Deep Smiles	OC[C@]CCCCC6=C[C@]C[C@@H]%10O)))C)[C@]C)CC[C@@H][C@][C@H]6C=C%10)))C)CC[C@@H][C@@]6C)CO)))O)))))))))))))C)C
Heavy Atom Count	34.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Classyfire Subclass	Triterpenoids
Isotope Atom Count	0.0
Molecular Complexity	921.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	9.0
Iupac Name	(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	5.8
Gsk 4 400 Rule	False
Molecular Formula	C30H48O4
Scaffold Graph Node Bond Level	C1=CC2C3CCCCC3CCC2C2CCC3CCCCC3=C12
Prediction Swissadme	0.0
Inchi Key	QGNVMEXLLPGQEV-HSFRRAFJSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.8666666666666667
Logs	-4.067
Rotatable Bond Count	2.0
Logd	3.456
Synonyms	saikogenin a
Esol Class	Poorly soluble
Functional Groups	CC(C)=C(C)C=CC, CO
Compound Name	Saikogenin A
Prediction Hob Swissadme	0.0
Exact Mass	472.355
Formal Charge	0.0
Monoisotopic Mass	472.355
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	472.7
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
Esol	-6.273902000000001
Inchi	InChI=1S/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3/t21-,22-,23+,24+,26+,27+,28-,29-,30-/m1/s1
Smiles	C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5CC(CC[C@@]5([C@H](C[C@]43C)O)CO)(C)C)C)(C)CO)O
Nring	5.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Triterpenoids

1. Outgoing r'ship FOUND_IN to/from Alangium Chinense (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Buddleja Asiatica (Plant) Rel Props:Reference:ISBN:9788185042053
4. Outgoing r'ship FOUND_IN to/from Bupleurum Aureum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Bupleurum Chaishoui (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
7. Outgoing r'ship FOUND_IN to/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Bupleurum Flacatum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Bupleurum Fruticescens (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Bupleurum Fruticosum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Bupleurum Hamiltonii (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Bupleurum Longicaule (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Bupleurum Longiradiatum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Bupleurum Marginatum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Bupleurum Polyclonum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Bupleurum Rigidum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Bupleurum Rockii (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Bupleurum Rotundifolium (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Bupleurum Salicifolium (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
21. Outgoing r'ship FOUND_IN to/from Bupleurum Sibiricum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Bupleurum Smithii (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Cirsium Chinense (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Cyrtomium Falcatum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Ganophyllum Falcatum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Micromelum Falcatum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Polycarpon Prostratum (Plant) Rel Props:Reference:ISBN:9788185042138
38. Outgoing r'ship FOUND_IN to/from Polygonatum Falcatum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:ISBN:9788185042084
44. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:

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Saikogenin A

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Phytochemical Properties

Associated Connections 44

Plant Connections 44