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 |