chempirical

Bacopaside V

C41H66O13CAS 620592-16-7766.97 g/mol

Open in Covalent MOL file
OOOHOOHOOOOHHOHOOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C41H66O13
Molar mass
766.97 g/mol
Exact mass
766.4503 Da
logP
2.00Crippen estimate
Polar surface area
197.0 Ų
H-bond donors / acceptors
7 / 13
Rotatable bonds
6
Stereocentres
R, R, S, R, S, S, R, R, R, R, S, S, R, S, S, 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
620592-16-7
SMILES
CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C
InChIKey
RJDSARTZFIBDAR-HYXREVLBSA-N
InChI
InChI=1S/C41H66O13/c1-20(2)14-21-16-50-41-18-40(19-51-41)22(33(41)39(21,7)48)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)53-34-31(47)32(23(43)17-49-34)54-35-30(46)29(45)28(44)24(15-42)52-35/h14,21-35,42-48H,8-13,15-19H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1

Weigh it out

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

Work with Bacopaside V

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

Jujuboside B55466-05-267 % similar Jujuboside A55466-04-165 % similar Notoginsenoside ft1155683-00-452 % similar 20(R)-Ginsenoside112246-15-851 % similar Ginsenoside rh278214-33-251 % similar Ginsenoside rg314197-60-550 % similar R-Ginsenoside rg338243-03-750 % similar Ginsenoside rc11021-14-050 % similar

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

Same formula

Scabioside C17233-22-6 Ziyuglycoside I35286-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook