TPCN04312

Name 16??-Acetoxy-21??,22??-diangeloyl-13??,28-epoxyoleanane 3-O-[??-rhamnopyranosyl-(1''''??6''')-??-glucopyranosyl-(1''' ?? 4')][??-glucopyranosyl-(1''?? 2')]-??-xylopyranoside
Molecular Formula C65H102O26
Molecular Weight 1299.51
CAS Registry Number 1460315-67-6
SMILES CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(COC9OC(C)C(O)C(O)C9O)C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Maesa lanceolata Woods 0.001800% J Asian Nat Prod Res 14(11): 987-1001. 10.1080/10286020.2012.674302
Properties
HBA 26 HBD 11
HeavyAtoms 91 AlogP 0.86
TPSA 384.50 RotatableBonds 15
FractionCSP3 0.89 Rings 10
AromaticRings 0 AliphaticRings 10