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Chemical structure of NG 012

GC44389

NG 012

Also known as (4R,8R,18R,22S,26R)-12,14,30,32-tetrahydroxy-22-(hydroxymethyl)-4,8,18,26-tetramethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone

NG 012 is a fungal metabolite originally isolated from P

ChemicalCAS141731-76-2MW662.6FormulaC32H38O15
CAS number
141731-76-2
Molecular weight
662.6
Formula
C32H38O15
Solubility
Chloroform： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
QFILNQIVBJLREP-RZOYPLJHSA-N
Catalogue number
GC44389
Brand
GLPBIO
Computed properties PubChem CID 21774848 · XLogP 3.9 · TPSA 233 Ų · H-bond donors 5
XLogP
3.9
TPSA
233 Ų
H-bond donors
5
H-bond acceptors
15
Rotatable bonds
1
Heavy atoms
47

SMILES C[C@@H]1CC2=C(C(=CC(=C2)O)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC(=O)O[C@@H](CC3=C(C(=CC(=C3)O)O)C(=O)O[C@@H](CC(=O)O1)C)C)CO)C

Computed descriptors from PubChem (CID 21774848), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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