3,16-Dihydroxy-12-oleanen-28-oic acid; (3β,16α)-form, 3-O-[β-D-Glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside], 28-O-[5-O-acetyl-α-L-arabinofuranosyl-(1→4)-[β-D-xylopyranosyl-(1→3)]-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl] ester
AlkaPlorer ID: AK296348
Synonym: Ligulataside A
IUPAC Name: None
Structure
SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(COC(C)=O)C(O)C6O)C(OC6OCC(O)C(O)C6O)C5O)C(O)CC34C)C2(C)C)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI: InChI=1S/C67H107NO31/c1-26-51(95-57-48(83)44(79)35(93-57)25-87-28(3)72)53(97-56-47(82)41(76)31(73)23-88-56)50(85)59(90-26)98-54-42(77)32(74)24-89-60(54)99-61(86)67-18-17-62(4,5)19-30(67)29-11-12-37-64(8)15-14-39(63(6,7)36(64)13-16-65(37,9)66(29,10)20-38(67)75)94-55-40(68-27(2)71)45(80)52(34(22-70)92-55)96-58-49(84)46(81)43(78)33(21-69)91-58/h11,26,30-60,69-70,73-85H,12-25H2,1-10H3,(H,68,71)
InChIKey: QLIPSXKNJSLGQL-UHFFFAOYSA-N
Reference
CAS: 2170323-57-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acacia ligulata | Acacia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1422.569000000001
TPSA？: 486.6800000000002
MolLogP？: -3.7566
Number of H-Donors: 16
Number of H-Acceptors: 31
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|