Dregeoside C

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Basic information

CAS: 126005-92-3
Standard SMILES: COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(CCC6C5CC(OC(C)=O)C5(C)C(O)(C(C)OC(=O)c7ccccc7)CCC65O)C4)CC3OC)CC2OC)OC(C)C1O
InChIKey: ZUUMWSMPQZIMEU-UHFFFAOYSA-N
Molecular formula: C51H78O16
Average molar mass: 947.2 g/mol
Monoisotopic mass: 946.5289864

Overview

Dregeoside C has been reported in Dregea sinensis with data available.

Names & identifiers

Preferred name: Dregeoside C
IUPAC: 1-[12-acetyloxy-14,17-dihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate

Names & synonyms

126005-92-3Dregeoside CDTXSID5092537012-(Acetyloxy)-3-{[2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14,17-dihydroxypregnan-20-yl benzoate

Database identifiers

CAS: 126005-92-3
PubChem CID: 182741
DTXSID: DTXSID50925370

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 196 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 16
Rotatable bonds: 15
Heavy atoms: 67
Formal charge: 0
Complexity: 1,700

Related reactions

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Compound notes

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