| Phytochemical Name : Madecassol |
| PCNDIDM0004 |
| Pubchem CID : 11954171 |
| Molecular formula: C48H78O19 |
| Canonical SMILES : CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O |
Synonymes : Asiaticoside|Madecassol|Centelase|16830-15-2|Asiaticosid|Emdecassol|UNII-PKO39VY215|Dermatologico|Blastoestimulina|CCRIS 8995|PKO39VY215|EINECS 240-851-7|NSC 36002|NSC 166062|BRN 0078195|CENTELASE DERMATOLOGICO|CHEBI:79928|4-17-00-03627 (Beilstein Handbook Reference)|NSC-36002|NSC-166062|BA-2742|Ba 2742|Blastostimulina|Marticassol|(O-alpha-L-Rhamnopyranoxyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)-2alpha,3beta,23-trihydroxy-12-ursen-28-oat|2alpha,3beta,23-Trihydroxy-urs-12-en-28-saeure(O-alpha-L-rhamnopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)ester|O-6-Desoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl 2alpha,3beta,23-trihydroxy-12-ursen-28-at|ASIATICOSIDE (USP-RS)|ASIATICOSIDE [USP-RS]|O-6-Deoxy-alpha-L-mannopyranosyl-(1.4)-O-beta-D-glucopyranosyl-(1.6)-beta-D-glucopyranosyl (2alpha,3beta,4alpha)-2,3,23-trihydroxyurs-12-en-28-oate|Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha)-|Urs-12-en-28-oic acid, 2-alpha,3-beta,23-trihydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-o-beta-D-glucopyranosyl-(1-6)-o-beta-D-glucopyranosyl ester|C48H78O19|C48-H78-O19|Madecassol (TN)|Asiaticoside, 21|ASIATICOSIDE [MI]|ASIATICOSIDE [INCI]|ASIATICOSIDE [WHO-DD]|CHEMBL1684590|BDBM23211|DTXSID30937476|HY-N0439|O-6-deoxy-alpha-L-mannopyranosyl-(14)-O-beta-D-glucopyranosyl-(16)-beta-D-glucopyranosyl (2alpha,3beta,4alpha)-2,3,23-trihydroxyurs-12-en-28-oate|Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, O-6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.4)-O-.beta.-D-glucopyranosyl-(1.fwdarw.6)-.beta.-D-glucopyranosyl ester, (2.alpha.,3.beta.,4.alpha.)-|Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, O-6-deoxy-.alpha.-L-mannopyranosyl-(1?4)-O-.beta.-D-glucopyranosyl-(1?6)-.beta.-D-glucopyranosyl ester, (2.alpha.,3.beta.,4.alpha.)-|AKOS037514554|DB14081|CS-0008960|D07576|ASIATICOSIDE (CONSTITUENT OF CENTELLA ASIATICA)|Q27149094|ASIATICOSIDE (CONSTITUENT OF CENTELLA ASIATICA) [DSC]|(2.ALPHA.,3.BETA.,4.ALPHA.)-2,3,23-TRIHYDROXYURS-12-EN-28-OIC ACID O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-O-.BETA.-D-GLUCOPYRANOSYL ESTER|(2alpha,3beta)-2,3,23-Trihydroxyurs-12-en-28-oic acid, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl Ester|(2alpha,3beta,4alpha)-2,3,23-TRIHYDROXYURS-12-EN-28-OIC ACID O-6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4)-O-beta-D-GLUCOPYRANOSYL-(1->6)-O-beta-D-GLUCOPYRANOSYL ESTER|URS-12-EN-28-OIC ACID, 2,3,23-TRIHYDROXY-, O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSYL ESTER, (2.ALPHA.,3.BETA.,4.ALPHA.)-|Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha)-|URS-12-EN-28-OIC ACID, 2,3,23-TRIHYDROXY-, O-6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4)-O-beta-D-GLUCOPYRANOSYL-(1->6)-beta-D-GLUCOPYRANOSYL ESTER, (2alpha,3beta,4alpha)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.050 |
| Log Po/w (XLOGP3) : 0.100 |
| Log Po/w (WLOGP) : -1.030 |
| Log Po/w (MLOGP) : -2.120 |
| Log Po/w (SILICOS-IT) : -1.650 |
| Consensus Log Po/w : -0.330 |