Summary

SMILES: COC1CC(O[C@H]2CC[C@]3(C(=CC[C@@]4([C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3([C@]4(O)CC[C@@]3(O)C(=O)C)C)O)C2)C)OC(C1OC1CC(OC)C(C(O1)C)OC1CC(OC)C(C(O1)C)OC1CC(OC)C(C(O1)C)O)C
InChI: InChI=1S/C58H86O19/c1-31-50(61)39(65-8)26-47(69-31)75-52-33(3)71-49(28-41(52)67-10)77-53-34(4)72-48(29-42(53)68-11)76-51-32(2)70-46(27-40(51)66-9)73-38-20-21-54(6)37(25-38)19-22-57(63)43(54)30-44(74-45(60)18-17-36-15-13-12-14-16-36)55(7)56(62,35(5)59)23-24-58(55,57)64/h12-19,31-34,38-44,46-53,61-64H,20-30H2,1-11H3/b18-17+/t31?,32?,33?,34?,38-,39?,40?,41?,42?,43+,44+,46?,47?,48?,49?,50?,51?,52?,53?,54-,55+,56+,57-,58+/m0/s1
InChIKey: WXYGKQHQSYONAN-NVRSCGFLSA-N
DeepSMILES: COCCCO[C@H]CC[C@]C=CC[C@@][C@@H]6C[C@@H]OC=O)/C=C/cccccc6))))))))))[C@][C@]6O)CC[C@@]5O)C=O)C))))))C)))))O))))C6))C))))))OCC6OCCCOC))CCO6)C))OCCCOC))CCO6)C))OCCCOC))CCO6)C))O)))))))))))))))))C
Scaffold Graph/Node/Bond level: O=C(C=Cc1ccccc1)OC1CC2C3CCC(OC4CCC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CO4)CC3=CCC2C2CCCC12
Scaffold Graph/Node level: OC(CCC1CCCCC1)OC1CC2C3CCC(OC4CCC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CO4)CC3CCC2C2CCCC12
Scaffold Graph level: CC(CCC1CCCCC1)CC1CC2C3CCC(CC4CCC(CC5CCC(CC6CCC(CC7CCCCC7)CC6)CC5)CC4)CC3CCC2C2CCCC12
Functional groups: CC(C)=O; CC=C(C)C; CO; COC; COC(C)OC; c/C=C/C(=O)OC

---

Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Steroids and steroid derivatives
ClassyFire Subclass: Steroidal glycosides
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Steroids
NP Classifier Class: Pregnane steroids

---

Synonymous chemical names:
wilfoside k1n

---

External chemical identifiers:
CID:5469232; ChEMBL:CHEMBL1982456

---

Chemical structure download