(3S,4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4R,5S,6R)-6-({[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3-acetamido-4,5-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-2,2,6a,6b,9,9,12a-hep
AlkaPlorer ID: AK361873
Synonym: None
IUPAC Name: 10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-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)C(O)CC5(C(=O)O)C(O)CC34C)C2(C)C)OC(COC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O
InChI: InChI=1S/C49H79NO18/c1-21-33(55)37(59)39(68-41-38(60)34(56)25(52)19-63-41)42(65-21)64-20-26-35(57)36(58)32(50-22(2)51)40(66-26)67-31-13-14-46(7)27(45(31,5)6)12-15-47(8)28(46)11-10-23-24-16-44(3,4)29(53)18-49(24,43(61)62)30(54)17-48(23,47)9/h10,21,24-42,52-60H,11-20H2,1-9H3,(H,50,51)(H,61,62)
InChIKey: CZNVTQBHIFLJPM-UHFFFAOYSA-N
Reference
Induction of apoptosis in a leukemia cell line by triterpene saponins from Albizia adianthifolia
PubChem CID: 85092021
LOTUS: LTS0165679
COCONUT: CNP0153116.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia adianthifolia | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 970.1600000000008
TPSA？: 307.34
MolLogP？: 1.298600000000006
Number of H-Donors: 11
Number of H-Acceptors: 17
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|