Gymnemagenin
PubChem CID: 10051937
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Gymnemagenin, 22467-07-8, UNII-U396WHT2FZ, U396WHT2FZ, (3R,4R,4aR,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol, GYMNEMAGENIN (USP-RS), GYMNEMAGENIN [USP-RS], Olean-12-ene-3beta,16beta,21beta,22alpha,23,28-hexol, Gymnemagenin (Standard), SCHEMBL4324523, Gymnemagenin, analytical standard, HY-N2268R, HY-N2268, AKOS037515112, FG74406, Olean-12-ene-3,16,21,22,23,28-hexol, (3.beta.,4.alpha.,16.beta.,21.beta.,22.alpha.)-, AS-79649, DA-73969, CS-0019597, GYMNEMAGENIN (CONSTITUENT OF GYMNEMA), GYMNEMAGENIN (CONSTITUENT OF GYMNEMA) [DSC], Q27290632, OLEAN-12-ENE-3beta,16beta,21beta,22alpha,23,28-HEXO, Gymnemagenin, United States Pharmacopeia (USP) Reference Standard, OLEAN-12-ENE-3.BETA.,16.BETA.,21.BETA.,22.ALPHA.,23,28-HEXO, Olean-12-ene-3,16,21,22,23,28-hexol, (3beta,16beta,21beta,22alpha)-, OLEAN-12-ENE-3,16,21,22,23,28-HEXOL, (3beta,4alpha,16beta,21beta,22alpha)- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21 |
| Np Classifier Class | Oleanane triterpenoids |
| Deep Smiles | OC[C@@][C@@H]O)C[C@@]C=CC[C@H][C@@]6C)CC[C@@H][C@]6C)CC[C@@H][C@@]6C)CO)))O))))))))))))[C@@H]6CC[C@H][C@@H]%10O))O))C)C)))))C |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21 |
| Classyfire Subclass | Triterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 932.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 12.0 |
| Iupac Name | (3R,4R,4aR,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H50O6 |
| Scaffold Graph Node Bond Level | C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1 |
| Inchi Key | VKJLHZZPVLQJKG-ABHKXHSUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | gymnemagenin |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | Gymnemagenin |
| Exact Mass | 506.361 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.361 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 506.7 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19+,20+,21-,22-,23-,24-,26-,27-,28+,29+,30-/m0/s1 |
| Smiles | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC([C@H]([C@@H]5O)O)(C)C)CO)O)C)C)(C)CO)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Gymnema Inodorum (Plant) Rel Props:Reference:ISBN:9770976605004 - 2. Outgoing r'ship
FOUND_INto/from Gymnema Montanum (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Gymnema Sylvestre (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279