Oleanolic acid bisdesmosides; Pentaglycosides, 3-O-[β-D-Xylopyranosyl-(1→3)-[α-L-arabinopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranoside], 28-O-[β-D-apiofuranosyl-(1→2)-β-D-glucopyranosyl] ester
AlkaPlorer ID: AK308610
Synonym: Pursaethoside A
IUPAC Name: [3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OCC(O)(CO)C5O)CCC34C)C2(C)C)OC(COC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O
InChI: InChI=1S/C59H95NO25/c1-26(63)60-36-44(83-49-43(72)38(67)30(65)22-77-49)40(69)32(23-78-48-42(71)37(66)29(64)21-76-48)81-47(36)82-35-12-13-55(6)33(54(35,4)5)11-14-57(8)34(55)10-9-27-28-19-53(2,3)15-17-58(28,18-16-56(27,57)7)52(74)85-50-45(41(70)39(68)31(20-61)80-50)84-51-46(73)59(75,24-62)25-79-51/h9,28-51,61-62,64-73,75H,10-25H2,1-8H3,(H,60,63)
InChIKey: SKZWDYLXPSPTSN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Entada pursaetha | Entada | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1218.3910000000008
TPSA？: 401.4600000000001
MolLogP？: -2.148399999999989
Number of H-Donors: 14
Number of H-Acceptors: 25
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|