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Chemical structure of Tubeimoside II

GC37833

Tubeimoside II

Also known as 7,8,18,28,29,35,51,55,56,58-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-(3,4,5-trihydroxyoxan-2-yl)oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione

Tubeimoside II(Tubeimoside-B) is a natural analogue of oleanane type of triterpenoid saponin; show anti-inflammatory, antitumor, and antitumor-promoting effects

ChemicalCAS115810-12-3MW1335.43FormulaC63H98O30
CAS number
115810-12-3
Molecular weight
1335.43
Formula
C63H98O30
Solubility
Soluble in DMSO
InChIKey
GBWAAJJGXQJTTA-UHFFFAOYSA-N
Catalogue number
GC37833
Brand
GLPBIO
Computed properties PubChem CID 14037387 · XLogP -3 · TPSA 465 Ų · H-bond donors 15
XLogP
-3
TPSA
465 Ų
H-bond donors
15
H-bond acceptors
30
Rotatable bonds
4
Heavy atoms
93

SMILES CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5O)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)OC(=O)CC(CC(=O)O2)(C)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O

Computed descriptors from PubChem (CID 14037387), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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