TPCN03597

Name Chikusetsusaponin IVa;Chikuse_x0002_tsusaponin IVa;Chikusetsusaponin ??a;Chikusetsusaponin;3-O-??-L-arabinopyranosyl serjanic acid 28-O-??-D-glucopyranosyl ester;Saponin 5;Silphioside G;Chikusetusaponin IVa;Saponin;Oleanolic acid 3-O-??-D-glucuronopyranoside-6-O-butyl ester-28-O-??-D-glucopyranoside
Molecular Formula C42H66O14
Molecular Weight 794.98
CAS Registry Number 51415-02-2
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)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Acanthopanax senticosus Fruits 0.038201% Chem Pharm Bull (Tokyo) 55(7): 1087-1089. 10.1248/cpb.55.1087
Opiliaceae Opilia celtidifolia Aerial parts 0.005800% Phytochemistry 33, 657-661 (1993) 10.1016/0031-9422(93)85468-7
Amaranthaceae Chenopodium quinoa Seeds 0.002667% Phytochemistry . 2008 Jun;69(9):1919-26 10.1016/j.phytochem.2008.03.001
Caprifoliaceae Patrinia scabiosaefoli Roots 0.002000% Arch Pharm Res, 2001, 24, 416-417. 10.1007/bf02975186
Amaranthaceae Chenopodium quinoa Seeds 0.001667% Phytochemistry . 2008 Jun;69(9):1919-26 10.1016/j.phytochem.2008.03.001
Caprifoliaceae Patrinia scabiosaefoli Roots 0.001275% Arch Pharm Res, 2001, 24, 416-417. 10.1007/bf02975186
Araliaceae Polyscias fruticosa Leaves 0.001164% Nat Prod Res. 2019. 1-6. 10.1080/14786419.2018.1557657.
Asteraceae Calendula stellata Whole plants 0.000765% Phytochemistry 144: 33-42. 10.1016/j.phytochem.2017.08.015
Caprifoliaceae Patrinia scabiosaefoli Roots 0.000500% Arch Pharm Res, 2001, 24, 416-417. 10.1007/bf02975186
Caprifoliaceae Patrinia scabiosaefoli Roots 0.000333% Arch Pharm Res, 2001, 24, 416-417. 10.1007/bf02975186
Araliaceae Panax japonicus Roots 0.000254% J Nat Prod 79(12): 3079-3085. 10.1021/acs.jnatprod.6b00748
Amaranthaceae Salicornia bigelovii Whole plants 0.000064% Molecules. 2015. 20, 6419-6431. 10.3390/molecules20046419.
Properties
HBA 14 HBD 8
HeavyAtoms 56 AlogP 2.41
TPSA 232.90 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7