chempirical

Tectorigenin 7-O-xylosylglucoside

C27H30O15CAS 231288-19-0594.52 g/mol

Open in Covalent MOL file
OHOOOHOOOOOOHOHOHOHOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C27H30O15
Molar mass
594.52 g/mol
Exact mass
594.1585 Da
logP
-1.48Crippen estimate
Polar surface area
238.2 Ų
H-bond donors / acceptors
8 / 15
Rotatable bonds
7
Stereocentres
S, R, S, S, R, S, 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
231288-19-0
SMILES
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O
InChIKey
MCYJIRFKDCXYCX-YUPZTAPUSA-N
InChI
InChI=1S/C27H30O15/c1-37-25-15(6-14-17(21(25)33)18(30)12(7-38-14)10-2-4-11(28)5-3-10)41-27-24(36)22(34)20(32)16(42-27)9-40-26-23(35)19(31)13(29)8-39-26/h2-7,13,16,19-20,22-24,26-29,31-36H,8-9H2,1H3/t13-,16-,19+,20-,22+,23-,24-,26+,27-/m1/s1

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

Work with Tectorigenin 7-O-xylosylglucoside

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

Tectoridin611-40-579 % similar Iristectorin A37744-61-968 % similar Iridin491-74-765 % similar Glycitin40246-10-459 % similar Homoplantaginin17680-84-154 % similar Tectorigenin548-77-654 % similar Pectolinarin28978-02-153 % similar Pueraria glycoside 2114240-18-552 % similar

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

Same formula

Baicalein 7-O-diglucoside114482-86-9 Kaempferol-3-O-rutinoside17650-84-9 (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-4-O-beta-D-glucopyranosyl-D-glucitol178468-00-3 Saponarin20310-89-8 Veronicastroside25694-72-8 Kaempferol-3-O-glucorhamnoside40437-72-7

Elsewhere

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