Oleanolic acid bisdesmosides; Heptaglycosides, 3-O-[β-D-Xylopyranosyl-(1→3)-α-L-arabinopyranosyl-(1→6)-[β-D-glucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranoside], 28-O-[6R-hydroxy-2,6-dimethyl-2E,7-octadienoyl-(→2)-β-D-glucopyranosyl-(1→4)-[β-D-xylopyranosyl-(1→2)]-6-O-acetyl-β-D-glucopyranosyl] ester
AlkaPlorer ID: AK308606
Synonym: None
IUPAC Name: None
Structure
SMILES: C=CC(C)(O)CCC=C(C)C(=O)OC1C(OC2C(COC(C)=O)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(OC9OCC(O)C(O)C9O)C8O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7NC(C)=O)C(C)(C)C6CCC5(C)C3(C)CC4)C(OC3OCC(O)C(O)C3O)C2O)OC(CO)C(O)C1O
InChI: InChI=1S/C83H131NO38/c1-13-79(9,106)20-14-15-35(2)68(104)117-66-57(98)54(95)44(29-86)113-74(66)120-65-45(33-107-37(4)88)115-75(67(61(65)102)121-72-59(100)52(93)41(90)31-110-72)122-76(105)83-25-23-77(5,6)27-39(83)38-16-17-48-80(10)21-19-49(78(7,8)47(80)18-22-82(48,12)81(38,11)24-26-83)116-69-50(84-36(3)87)55(96)64(119-73-60(101)56(97)53(94)43(28-85)112-73)46(114-69)34-111-70-62(103)63(42(91)32-108-70)118-71-58(99)51(92)40(89)30-109-71/h13,15-16,39-67,69-75,85-86,89-103,106H,1,14,17-34H2,2-12H3,(H,84,87)
InChIKey: AIDVVIFXHFQSLJ-UHFFFAOYSA-N
Reference
CAS: 1903725-66-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Entada phaseoloides | Entada | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1750.930000000001
TPSA？: 592.1300000000002
MolLogP？: -3.716400000000014
Number of H-Donors: 19
Number of H-Acceptors: 38
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|