TPCN04735

Name 3-O-??-D-glucopyranosyl-(1??3)-[??-L-rhamnopyranosyl-(1??2)]-??-L-arabinopyranosyl-3??,19??-dihydroxyoleanane-12-en-28-oic acid;Urs-12-en-28-oic acid, 3-[[2-O-(6-deoxy-??-L-mannopyranosyl)-??-L-arabinopyranosyl]oxy]-19-hydroxy-, ??-D-glucopyranosyl ester, (3??)- (9CI, ACI);Randiasaponin IV
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 55965-02-1
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(C(=O)OC7OC(CO)C(O)C(O)C7O)(CCC(C)C6(C)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Rosenbergiodendron formosum Leaves 0.036429% Phytochemistry. 2000 May;54(1):77-84. 10.1016/s0031-9422(00)00034-0.
Amaryllidaceae Allium ascalonicum Subterraneous stems 0.000072% Nat Prod Res: 1-9. 10.1080/14786419.2020.1713122
Amaryllidaceae Allium ascalonicum Subterraneous stems 0.000064% None 10.1080/14786419.2020.1713122
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 0.78
TPSA 274.75 RotatableBonds 7
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8