3,16-Dihydroxy-12-oleanen-28-oic acid; (3β,16α)-form, 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-[β-D-apiofuranosyl-(1→3)-β-D-xylopyranosyl-(1→2)-[2-O-E-cinnamoyl-3-O-(6R-hydroxy-2,6-dimethyl-2E,7-octadienoyl)-β-D-xylopyranosyl-(1→4)]-6-O-acetyl-β-D-glucopyranosyl] ester
AlkaPlorer ID: AK296356
Synonym: None
IUPAC Name: [6-(acetyloxymethyl)-3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-5-[5-hydroxy-4-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy-3-(3-phenylprop-2-enoyloxy)oxan-2-yl]oxyoxan-2-yl] 10-[3-acetamido-6-[[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-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: C=CC(C)(O)CCC=C(C)C(=O)OC1C(O)COC(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)CC4O)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C2O)C1OC(=O)C=CC1=CC=CC=C1
InChI: InChI=1S/C96H143NO43/c1-13-91(9,120)27-17-18-43(2)79(118)134-73-52(105)38-126-85(77(73)133-60(107)24-21-46-19-15-14-16-20-46)138-75-54(39-122-45(4)101)131-86(76(68(75)114)139-83-70(116)72(51(104)37-125-83)136-87-78(117)95(121,41-99)42-128-87)140-88(119)96-31-30-89(5,6)32-48(96)47-22-23-57-92(10)28-26-59(90(7,8)56(92)25-29-93(57,11)94(47,12)33-58(96)106)132-80-61(97-44(3)100)64(110)74(137-84-67(113)65(111)63(109)53(34-98)129-84)55(130-80)40-127-81-69(115)71(50(103)36-123-81)135-82-66(112)62(108)49(102)35-124-82/h13-16,18-22,24,48-59,61-78,80-87,98-99,102-106,108-117,120-121H,1,17,23,25-42H2,2-12H3,(H,97,100)
InChIKey: XSIWUIAYZYISGS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Entada africana | Entada | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1999.164000000001
TPSA？: 657.1200000000003
MolLogP？: -3.377300000000022
Number of H-Donors: 20
Number of H-Acceptors: 43
RingCount: 14
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|