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Chemical structure of Notoginsenoside T5

GC76370

Notoginsenoside T5

Also known as (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Notoginsenoside T5 is a dammarane 61 glycoside

ChemicalCAS769932-34-5MW752.97FormulaC41H68O12
CAS number
769932-34-5
Molecular weight
752.97
Formula
C41H68O12
InChIKey
HXAJCOUXPGZOSR-AILNWJDNSA-N
Catalogue number
GC76370
Brand
GLPBIO
Computed properties PubChem CID 102004610 · XLogP 4.2 · TPSA 199 Ų · H-bond donors 8
XLogP
4.2
TPSA
199 Ų
H-bond donors
8
H-bond acceptors
12
Rotatable bonds
9
Heavy atoms
53

SMILES CC(=CCCC(=C)[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)C

Computed descriptors from PubChem (CID 102004610), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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