Araloside A

C47H74O18CAS 7518-22-1927.09 g/mol

Open in Covalent MOL file
OOOHOHOOHOHOOOOHOOOHOHOHHOHO
AcetalAlcoholAlkeneCarboxylic acidEsterEther

Properties

Molecular formula
C47H74O18
Molar mass
927.09 g/mol
Exact mass
926.4875 Da
Melting point
196–200 °C (decomposes)
logP
0.87Crippen estimate
Polar surface area
291.8 Ų
H-bond donors / acceptors
10 / 17
Rotatable bonds
9
Stereocentres
S, S, R, S, S, R, S, R, R, S, R, S, S, S, S, R, R, R, R, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
7518-22-1
SMILES
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
KQSFNXMDCOFFGW-GNDIVNLPSA-N
InChI
InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/t22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,38-,39-,40+,44-,45+,46+,47-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-
  • Chikusetsusaponin IV
  • Oleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 4-O-α-L-arabinofuranosyl-β-D-glucopyranosiduronic acid
  • Chikusetsusaponin 4
  • Oleanoside E

Work with Araloside A

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ginsenoside ro34367-04-993 % similar Chikusetsusaponin IVa51415-02-292 % similar Raddeanoside R8124961-61-172 % similar Hederasaponin B36284-77-272 % similar Calenduloside E26020-14-471 % similar Hederacolchiside A1106577-39-368 % similar Asperosaponin VI39524-08-867 % similar Raddeanin A89412-79-367 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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