TPCN04600

Name 3-O-??-D-Glucopyranosyl-(1??3)-??-D-glucopyranosyl-(1??3)-??-Dglucopyranosylechinocystic acid
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 1588875-38-0
SMILES CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Aralia elata Leaves 0.000200% J Asian Nat Prod Res 15(8): 849-854. 10.1080/10286020.2013.805207
Properties
HBA 19 HBD 12
HeavyAtoms 67 AlogP -0.32
TPSA 315.21 RotatableBonds 10
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8