TPCN01461

Name 7
Molecular Formula C26H38O13
Molecular Weight 558.58
CAS Registry Number 1438883-47-6
SMILES CC1=CC=CC2(COC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)CCC3C(OC(=O)C3(C)O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula varia Roots 0.000429% Chem Pharm Bull (Tokyo) 60(7): 913-919.(2012) 10.1248/cpb.c12-00350
Properties
HBA 13 HBD 7
HeavyAtoms 39 AlogP -2.53
TPSA 204.83 RotatableBonds 7
FractionCSP3 0.81 Rings 5
AromaticRings 0 AliphaticRings 5