| Phytochemical Name : Neoandrographolide |
| PCNDIDN0031 |
| Pubchem CID : 9848024 |
| Molecular formula: C26H40O8 |
| Canonical SMILES : CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)COC4C(C(C(C(O4)CO)O)O)O |
Synonymes : Neoandrographolide|27215-14-1|Neoandrographiside|(-)-neoandrographolide|UNII-XBY0Z806J2|XBY0Z806J2|3-(2-((1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylene-5-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)decahydronaphthalen-1-yl)ethyl)furan-2(5H)-one|C26H40O8|CHEMBL480853|MEGxp0_000981|SCHEMBL2225354|ACon1_000667|DTXSID80904895|4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one|HY-N0721|MFCD07779130|s9157|AKOS030526126|Neoandrographolide, analytical standard|CCG-269552|CS-3656|NCGC00169477-01|NCGC00169477-02|AS-56986|W-202147|BRD-K66516195-001-01-4|Q27293767|NEOANDROGRAPHOLIDE (CONSTITUENT OF ANDROGRAPHIS) [DSC]|2(5H)-FURANONE, 3-(2-((1R,4AS,5R,8AS)-5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-|2(5H)-FURANONE, 3-(2-(5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-, (1R-(1.ALPHA.,4A.BETA.,5.ALPHA.,8A.ALPHA.))-|2(5H)-Furanone, 3-(2-(5-((beta-D-glucopyranosyloxy)methyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-, (1R-(1alpha,4abeta,5alpha,8aalpha))-|3-[2-[(4aS,5R,8aS)-5,8a-Dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-5H-furan-2-one|5.BETA.,9.BETA.H,10.ALPHA.-LABDA-8(20),13-DIEN-16-OIC ACID, 18-(GLUCOSYLOXY)-15-HYDROXY-, .GAMMA.-LACTONE |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.270 |
| Log Po/w (XLOGP3) : 2.630 |
| Log Po/w (WLOGP) : 1.850 |
| Log Po/w (MLOGP) : 1.260 |
| Log Po/w (SILICOS-IT) : 2.550 |
| Consensus Log Po/w : 2.310 |

