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Chemical structure of Isorubrofusarin 10-gentiobioside

GC62013

Isorubrofusarin 10-gentiobioside

Also listed as Isorubrofusarin-6-O-β-gentiobioside

Isorubrofusarin-6-O-β-gentiobioside (Isorubrofusarin gentiobioside) is a naphthopyrone glycoside isolated from Cassia obtusifolia Linn seeds

ChemicalCAS200127-93-1MW596.53FormulaC27H32O15
CAS number
200127-93-1
Molecular weight
596.53
Formula
C27H32O15
InChIKey
CREWSFDYWMXJQL-UHFFFAOYSA-N
Catalogue number
GC62013
Brand
GLPBIO
Computed properties PubChem CID 85211061 · XLogP -1 · TPSA 234 Ų · H-bond donors 8
XLogP
-1
TPSA
234 Ų
H-bond donors
8
H-bond acceptors
15
Rotatable bonds
7
Heavy atoms
42

SMILES CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2O)OC)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O

Computed descriptors from PubChem (CID 85211061), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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