TPCN03571

Name Chikusetsusaponin V;Chikusetsusaponin ??
Molecular Formula C48H76O19
Molecular Weight 957.12
CAS Registry Number 34367-04-9
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapotaceae Madhuca longifolia Seeds 0.002455% J Nat Prod, 2000, 63, 1679-1681. 10.1021/np000351r
Araliaceae Panax japonicus Roots 0.000866% J Nat Prod 79(12): 3079-3085. 10.1021/acs.jnatprod.6b00748
Sapotaceae Madhuca longifolia Seeds 0.000455% J Nat Prod, 2000, 63, 1679-1681. 10.1021/np000351r
Properties
HBA 19 HBD 11
HeavyAtoms 67 AlogP 0.23
TPSA 312.05 RotatableBonds 9
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8