3,16-Dihydroxy-12-oleanen-28-oic acid; (3β,16α)-form, 3-O-[α-L-Arabinopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranoside]
AlkaPlorer ID: AK296341
Synonym: None
IUPAC Name: 10-[3-acetamido-4,5-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-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-carboxylic acid
Structure
SMILES: CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(O)CC34C)C2(C)C)OC(COC2OCC(O)C(O)C2O)C(O)C1O
InChI: InChI=1S/C43H69NO13/c1-21(45)44-30-33(50)32(49)25(20-55-36-34(51)31(48)24(46)19-54-36)56-35(30)57-29-12-13-40(6)26(39(29,4)5)11-14-41(7)27(40)10-9-22-23-17-38(2,3)15-16-43(23,37(52)53)28(47)18-42(22,41)8/h9,23-36,46-51H,10-20H2,1-8H3,(H,44,45)(H,52,53)
InChIKey: LRMCXUYYLPHGOS-UHFFFAOYSA-N
Reference
Cytotoxic Oleanane-Type Saponins from <i>Albizia inundata</i>
PubChem CID: 14217287
LOTUS: LTS0134316
COCONUT: CNP0155805.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia inundata | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 808.0190000000006
TPSA？: 228.19
MolLogP？: 3.476000000000004
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|