TPCN01750

Name 5
Molecular Formula C26H38O12
Molecular Weight 542.58
CAS Registry Number 1438883-43-2
SMILES C=C1C(O)C(O)C(OC(=O)C(C)=CC)C2(C)CCC3C(OC(=O)C3(C)OC3OC(CO)C(O)C(O)C3O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula varia Roots 0.000143% Chem Pharm Bull (Tokyo) 60(7): 913-919.(2012) 10.1248/cpb.c12-00350
Properties
HBA 12 HBD 6
HeavyAtoms 38 AlogP -1.31
TPSA 192.44 RotatableBonds 5
FractionCSP3 0.77 Rings 4
AromaticRings 0 AliphaticRings 4