Acacioside A.
AlkaPlorer ID: AK036287
Synonym: '3-O-beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid', 'Acacioside A'
IUPAC Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5S)-4,5-dihydroxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-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)=N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C48H77NO17/c1-22(50)49-32-36(57)35(56)27(21-63-41-38(34(55)26(52)20-62-41)66-40-37(58)33(54)25(51)19-61-40)64-39(32)65-31-12-13-45(6)28(44(31,4)5)11-14-46(7)29(45)10-9-23-24-17-43(2,3)15-16-48(24,42(59)60)30(53)18-47(23,46)8/h9,24-41,51-58H,10-21H2,1-8H3,(H,49,50)(H,59,60)/t24-,25-,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40+,41+,45-,46+,47+,48+/m0/s1
InChIKey: MLRZPRGBFKQPOT-XZCYOWNXSA-N
Reference
Triterpenoid saponins with N-acetyl sugar from the bark of Albizia procera
PubChem CID: 162990603
LOTUS: LTS0143862
SuperNatural Ⅲ: SN0229020-10
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia procera | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 940.1340000000008
TPSA？: 287.11
MolLogP？: 1.939300000000005
Number of H-Donors: 10
Number of H-Acceptors: 16
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|