| Phytochemical Name : Hederagenin |
| PCNDIDH0010 |
| Pubchem CID : 73299 |
| Molecular formula: C30H48O4 |
| Canonical SMILES : CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C |
Synonymes : Hederagenin|465-99-6|Caulosapogenin|Hederagenol|Astrantiagenin E|Hederagenic acid|Hederagenine|NSC 24954|EINECS 207-369-9|(3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid|UNII-RQF57J8212|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|CHEBI:69579|RQF57J8212|NSC-24954|HEDERAGENIN, (+)-|(3-beta,4-alpha)-3,23-Dihydroxyolean-12-en-28-oic acid|4-epi-hederagenin|Olean-12-en-28-oic acid, 3beta,23-dihydroxy-|(3beta)-3,23-dihydroxyolean-12-en-28-oic acid|Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3b,4a)-|Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3beta,4alpha)-|Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3-beta,4-alpha)-|Hederagenin,(S)|HEDERAGENIN [MI]|Olean-12-en-28-oic acid, 3.beta.,23-dihydroxy-|SCHEMBL359809|Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3.beta.,4.alpha.)-|CHEMBL486400|Hederagenin, >=97% (HPLC)|DTXSID301029412|HY-N0256|NSC24954|BDBM50442880|MFCD00017385|s3899|AKOS016036289|CCG-269472|CS-5454|AS-68383|LS-98291|Olean-12-en-28-oic acid,23-dihydroxy-|H1645|3ss,4a-3,23-Dihydroxyolean-12-en-28-oicAcid|A872247|Olean-12-en-28-oic acid, 3-beta,23-dihydroxy-|Q-100493|Q5697238|3beta,4alpha-3,23-Dihydroxyolean-12-en-28-oic Acid|Olean-12-en-28-oic acid, 3-beta,23-dihydroxy- (6CI,7CI,8CI)|Olean-12-en-28-oic acid, 3-beta,23-dihydroxy-(6CI,7CI,8CI)|Olean-12-en-28-oic acid,23-dihydroxy-, (3.beta.,4.alpha.)-|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylicacid|(4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-10-HYDROXY-9-(HYDROXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.920 |
| Log Po/w (XLOGP3) : 6.820 |
| Log Po/w (WLOGP) : 6.210 |
| Log Po/w (MLOGP) : 4.970 |
| Log Po/w (SILICOS-IT) : 5.240 |
| Consensus Log Po/w : 5.430 |

