chempirical

Forsythoside E

C20H30O12CAS 93675-88-8462.45 g/mol

Open in Covalent MOL file
OOOOOHHOHOOHOHOHOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C20H30O12
Molar mass
462.45 g/mol
Exact mass
462.1737 Da
logP
-2.69Crippen estimate
Polar surface area
198.8 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
7
Stereocentres
S, R, R, R, R, R, S, S, R, 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
93675-88-8
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O)O)O)O)O
InChIKey
QIMGUQIHCNDUKU-OJJLXHDHSA-N
InChI
InChI=1S/C20H30O12/c1-8-13(23)15(25)17(27)20(31-8)30-7-12-14(24)16(26)18(28)19(32-12)29-5-4-9-2-3-10(21)11(22)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m0/s1

Weigh it out

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

Work with Forsythoside E

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

Forsythoside H1178974-85-068 % similar Isoforsythiaside1177581-50-867 % similar Forsythoside A79916-77-165 % similar Poliumoside94079-81-962 % similar Isoacteoside61303-13-761 % similar Echinacoside82854-37-359 % similar Calceolarioside B105471-98-557 % similar Tubuloside A112516-05-955 % similar

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

Elsewhere

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