Diphylloside B

C38H48O19CAS 118544-18-6808.78 g/mol

Open in Covalent MOL file
OOOOOOOOHOOHOHOHHOHOHOHOOHOHOH
AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C38H48O19
Molar mass
808.78 g/mol
Exact mass
808.2790 Da
logP
-1.38Crippen estimate
Polar surface area
308.1 Ų
H-bond donors / acceptors
11 / 19
Rotatable bonds
10
Stereocentres
S, R, R, R, S, R, R, 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.

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Identifiers

CAS number
118544-18-6
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)O)C)O)O)O)O)O
InChIKey
ABEPLDYBWOKMCT-KUBBBFTRSA-N
InChI
InChI=1S/C38H48O19/c1-13(2)5-10-18-20(53-37-31(50)28(47)25(44)21(12-39)54-37)11-19(41)22-26(45)34(32(55-33(18)22)16-6-8-17(40)9-7-16)56-38-35(29(48)24(43)15(4)52-38)57-36-30(49)27(46)23(42)14(3)51-36/h5-9,11,14-15,21,23-25,27-31,35-44,46-50H,10,12H2,1-4H3/t14-,15-,21+,23-,24-,25+,27+,28-,29+,30+,31+,35+,36-,37+,38-/m0/s1

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

Names and synonyms

1 names
  • Baohuoside V

Work with Diphylloside B

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

Epmedin C110642-44-989 % similar Icariin489-32-782 % similar Hexandraside F140147-77-981 % similar Epimedin A110623-72-879 % similar Sagittatoside A118525-35-279 % similar Baohuoside ii55395-07-873 % similar 2'-O-Rhamnosylicariside ii135293-13-970 % similar Kaempferol-3-O-glucorhamnoside40437-72-769 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Epimedin B110623-73-9

Elsewhere

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