TPCN06039

Name Maejaposide E
Molecular Formula C70H110O32
Molecular Weight 1463.62
CAS Registry Number 221467-44-3
SMILES CC=C(C)C(=O)OC1C(OC(=O)C=CCCC)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Maesa japonica Roots 0.002126% J Nat Prod . 1999 Feb;62(2):228-32 10.1021/np980235c
Properties
HBA 32 HBD 16
HeavyAtoms 102 AlogP -2.08
TPSA 494.88 RotatableBonds 19
FractionCSP3 0.90 Rings 11
AromaticRings 0 AliphaticRings 11