chempirical

Ziyuglycoside I

C41H66O13CAS 35286-58-9766.97 g/mol

Open in Covalent MOL file
OOOHOHOHOHOOOOHHOHOHO
AcetalAlcoholAlkeneEsterEther

Properties

Molecular formula
C41H66O13
Molar mass
766.97 g/mol
Exact mass
766.4503 Da
logP
1.93Crippen estimate
Polar surface area
215.8 Ų
H-bond donors / acceptors
8 / 13
Rotatable bonds
5
Stereocentres
R, S, S, R, R, R, R, S, S, R, S, S, S, R, S, R, S, S, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
35286-58-9
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChIKey
WCHBFWOEFOZHMK-MLHVESHNSA-N
InChI
InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1

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Names and synonyms

1 names
  • 3-O-Alpha-L-arabinopyranosylpomolic acid beta-D-glucopyranosyl ester

Work with Ziyuglycoside I

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

Ziyuglycoside II35286-59-077 % similar Kajiichigoside F195298-47-877 % similar Pedunculoside42719-32-473 % similar Asperosaponin VI39524-08-865 % similar Raddeanoside R8124961-61-164 % similar Hederasaponin B36284-77-264 % similar Chikusetsusaponin IVa51415-02-260 % similar Araloside A7518-22-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Scabioside C17233-22-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook