Summary

SMILES: C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)[C@@H](C[C@@H](C3)O)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C
InChI: InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44-/m1/s1
InChIKey: FHKHGNFKBPFJCB-LYLKFOBISA-N
DeepSMILES: C[C@@H]CC[C@@]OC6))O[C@@H][C@H][C@@H]5C))[C@@][C@@H]C5)[C@@H]CC=C[C@][C@H]6CC%10)))C)[C@@H]C[C@@H]C6)O)))O[C@@H]O[C@H]C)[C@@H][C@@H][C@H]6O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O)))))))O[C@@H]OC[C@H][C@@H][C@H]6O))O))O)))))))O)))))))))))))C
Scaffold Graph/Node/Bond level: C1=C2CCCC(OC3OCCC(OC4CCCCO4)C3OC3CCCCO3)C2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1
Scaffold Graph/Node level: C1CCC(OC2CCOC(OC3CCCC4CCC5C6CC7OC8(CCCCO8)CC7C6CCC5C43)C2OC2CCCCO2)OC1
Scaffold Graph level: C1CCC(CC2CCCC(CC3CCCC4CCC5C6CC7CC8(CCCCC8)CC7C6CCC5C43)C2CC2CCCCC2)CC1
Functional groups: CC=C(C)C; CO; CO[C@@H](C)OC; CO[C@@](C)(C)OC; CO[C@H](C)OC

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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: Spirostane steroids

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Synonymous chemical names:
ophiopogonin d (ruscogenin-α-l-rhamnopyranosyl (1→2) [β-d-xylopyranosyl (1→3)]-β-d-fucopyranoside)

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External chemical identifiers:
CID:46173859; ChEBI:80883; ZINC:ZINC000238808913; MolPort-023-220-749

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Chemical structure download