TPCN03602

[object Object]
Name ??-hederin;Kalopanax saponin A;TPG3;Hederoside C;??-Hederin
Molecular Formula C41H66O12
Molecular Weight 750.97
CAS Registry Number 27013-91-8
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus saponaria Fruits 0.016400% Phytochemistry . 2018 Mar;147:1-8 10.1016/j.phytochem.2017.12.004
Ranunculaceae Pulsatilla koreana Roots 0.006000% Molecules 18(5): 5306-5316. 10.3390/molecules18055306
Araliaceae Trevesia palmata Aerial parts 0.005577% Sci Rep . 2018 Sep 28;8(1):14522 10.1038/s41598-018-32956-4
Ranunculaceae Actaea vaginata Subterraneous stems 0.001917% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2019.1700509
Sapindaceae Elattostachys apetala Barks 0.000931% Phytochemistry 57(3): 469-478. 10.1016/s0031-9422(01)00063-2
Properties
HBA 12 HBD 7
HeavyAtoms 53 AlogP 3.52
TPSA 195.60 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7