TPCN00149

Name Myresculoside
Molecular Formula C21H36O11
Molecular Weight 464.51
CAS Registry Number 1346019-32-6
SMILES CC12CCC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)(CC1)C(C)(C)O2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Myricaceae Myrica esculenta Leaves 0.002500% Chem Pharm Bull (Tokyo), 2010, 58, 1408-1410. 10.1248/cpb.58.1408
Properties
HBA 11 HBD 6
HeavyAtoms 32 AlogP -1.85
TPSA 167.53 RotatableBonds 6
FractionCSP3 1.00 Rings 5
AromaticRings 0 AliphaticRings 5