3-O-[alpha-L-arabinopyranosyl-(1-2)-beta-D-fucopyranosyl-(1-6)-2-acetamid+
AlkaPlorer ID: AK036253
Synonym: None
IUPAC Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-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]2O[C@H](C)[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/C49H79NO17/c1-22-33(54)37(58)39(67-41-38(59)34(55)26(52)20-62-41)42(64-22)63-21-27-35(56)36(57)32(50-23(2)51)40(65-27)66-31-13-14-46(7)28(45(31,5)6)12-15-47(8)29(46)11-10-24-25-18-44(3,4)16-17-49(25,43(60)61)30(53)19-48(24,47)9/h10,22,25-42,52-59H,11-21H2,1-9H3,(H,50,51)(H,60,61)/t22-,25+,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40+,41-,42-,46+,47-,48-,49-/m1/s1
InChIKey: MIPXDZVPQOJPHM-DAYYQMGSSA-N
Reference
Triterpenoid saponins with N-acetyl sugar from the bark of Albizia procera
PubChem CID: 162988244
LOTUS: LTS0032675
SuperNatural Ⅲ: SN0226696-08
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Albizia procera | Albizia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 954.1610000000009
TPSA？: 287.11
MolLogP？: 2.3278000000000056
Number of H-Donors: 10
Number of H-Acceptors: 16
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|