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Chemical structure of Raddeanin A

GC19607

Raddeanin A

Also known as (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Raddeanin A is a natural triterpenoid saponin component of Anemone raddeana, with anti-cancer activities· Raddeanin A exerts anticancer effect on human osteosarcoma via the ROS/JNK and NF-κB signal pathway

ChemicalCAS89412-79-3MW897.11FormulaC47H76O16
CAS number
89412-79-3
Molecular weight
897.11
Formula
C47H76O16
Solubility
100mg/mL(111·47 mM) in DMSO
InChIKey
VQQGPFFHGWNIGX-PPCHTBMASA-N
Catalogue number
GC19607
Brand
GLPBIO
Computed properties PubChem CID 174742 · XLogP 3.3 · TPSA 255 Ų · H-bond donors 9
XLogP
3.3
TPSA
255 Ų
H-bond donors
9
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
63

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]2O[C@@H]3[C@H]([C@H](CO[C@H]3O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(CC8)(C)C)C(=O)O)C)C)C)O)O)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 174742), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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