chempirical

Ziyuglycoside II

C35H56O8CAS 35286-59-0604.83 g/mol

Open in Covalent MOL file
OHOOOOHHOHOOH
AcetalAlcoholAlkeneCarboxylic acidEther

Properties

Molecular formula
C35H56O8
Molar mass
604.83 g/mol
Exact mass
604.3975 Da
Melting point
260–263 °C
logP
4.67Crippen estimate
Polar surface area
136.7 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
3
Stereocentres
R, S, S, R, R, S, S, S, S, R, R, R, 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
35286-59-0
SMILES
C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
InChIKey
MFIXLWYJTVEVGO-YHGWSDCJSA-N
InChI
InChI=1S/C35H56O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(36)18-42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)/t19-,21+,22+,23-,24+,25+,26-,27-,28+,31+,32-,33-,34-,35+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • Urs-12-en-28-oic acid, 3-(α-L-arabinopyranosyloxy)-19-hydroxy-, (3β)-
  • (3β)-3-(α-L-Arabinopyranosyloxy)-19-hydroxyurs-12-en-28-oic acid
  • Zigu-glucoside II
  • 3β,19α-Dihydroxyurs-12-en-28-oic acid 3-O-α-L-arabinopyranoside
  • Pomolic acid 3-O-α-L-arabinopyranoside
  • 3-O-α-L-Arabinopyranosylpomolic acid
  • Gouguside 1
  • 3β-O-α-L-Arabinopyranosyl-19α-hydroxyurs-12-en-28-oic acid
  • Ziyu-glucoside II

Work with Ziyuglycoside II

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 I35286-58-977 % similar Euscaphic acid53155-25-267 % similar Rotundic acid20137-37-563 % similar Kajiichigoside F195298-47-857 % similar Raddeanin A89412-79-356 % similar Calenduloside E26020-14-456 % similar Pedunculoside42719-32-454 % similar α-Hederin27013-91-853 % similar

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

Elsewhere

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