Basic information
- CAS
161659-81-0- Standard SMILES
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O- InChIKey
LVTJOONKWUXEFR-UHFFFAOYSA-N- Molecular formula
- C51H84O22
- Average molar mass
- 1,049.2 g/mol
- Monoisotopic mass
- 1,048.5454243
Overview
Furostane base-2H + O-Hex, O-Hex-dHex-dHex has been reported in Smilax china, Tribulus terrestris, and other organisms with data available.
Names & identifiers
- Preferred name
- beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->4))-
- IUPAC
- 2-[4-hydroxy-2-(hydroxymethyl)-6-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Names & synonyms
161659-81-0beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->4))-beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-RefChem:328993NSC698789Saponin C?60478-69-5Protodioscin [M+H]+DTXSID101099899NSC 698796LS-15500DB-050317
Show more names
2-[4-hydroxy-2-(hydroxymethyl)-6-[hydroxy-trimethyl-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl][?]yl]oxy-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol26-(Hexopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 2,4-bis-O-(6-deoxyhexopyranosyl)hexopyranosideI(2)-D-Glucopyranoside, (3I(2),25R)-26-(I(2)-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 346 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 14
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 1,900
Experimental & physicochemical properties
Melting Point190 - 192 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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