TPCN06091

Name Maejaposide B
Molecular Formula C64H104O30
Molecular Weight 1353.51
CAS Registry Number 221467-25-0
SMILES CCC(C)C(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(C)C(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC21OC3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Maesa japonica Roots 0.000984% J Nat Prod . 1999 Feb;62(2):228-32 10.1021/np980235c
Properties
HBA 30 HBD 16
HeavyAtoms 94 AlogP -2.88
TPSA 468.58 RotatableBonds 16
FractionCSP3 0.97 Rings 11
AromaticRings 0 AliphaticRings 11