chempirical

Mogroside V

C60H102O29CAS 88901-36-41287.45 g/mol

Open in Covalent MOL file
OHOOOOHOHOOHOHOHOHOOHOOHOHHOOOOOOHOHHOHOHOHOOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C60H102O29
Molar mass
1287.45 g/mol
Exact mass
1286.6507 Da
logP
-5.41Crippen estimate
Polar surface area
476.7 Ų
H-bond donors / acceptors
19 / 29
Rotatable bonds
20
Stereocentres
R, R, S, R, S, S, R, R, R, S, S, R, S, R, S, S, R, R, S, R, R, R, S, R, S, R, R, S, S, R, R, 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
88901-36-4
SMILES
C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)O)C)C
InChIKey
GHBNZZJYBXQAHG-KUVSNLSMSA-N
InChI
InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1

Weigh it out

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

Work with Mogroside 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

Siamenoside I126105-12-2100 % similar Mogroside iv88915-64-4100 % similar Mogroside iv89590-95-4100 % similar Neomogroside89590-98-7100 % similar Mogroside iva88901-41-194 % similar Mogroside III-E88901-37-593 % similar Saikosaponin F62687-63-243 % similar Picfeltarraenin ib97230-46-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook