ChemSpider 2D Image | sinularia glycoside | C36H58O8

sinularia glycoside

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID24687305

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,7β,16β)-7,16-Dihydroxyergosta-5,24(28)-dien-3-yl 4-O-acetyl-6-deoxy-α-L-galactopyranoside [ACD/IUPAC Name]
(3β,7β,16β)-7,16-Dihydroxyergosta-5,24(28)-dien-3-yl-4-O-acetyl-6-desoxy-α-L-galactopyranosid [German] [ACD/IUPAC Name]
4-O-Acétyl-6-désoxy-α-L-galactopyranoside de (3β,7β,16β)-7,16-dihydroxyergosta-5,24(28)-dién-3-yle [French] [ACD/IUPAC Name]
sinularia glycoside
α-L-Galactopyranoside, (3β,7β,16β)-7,16-dihydroxyergosta-5,24(28)-dien-3-yl 6-deoxy-, 4-acetate [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A steroid saponin that is 3,7,16-trihydroxyergosta-5,24(28)-diene substituted by a 4-<element>O</element>-acetyl-6-deoxy-<stereo>alpha</stereo>-<stereo>L</stereo>-galactopyranosyl residue at position 3 via a glycosidic linkage (the 3<stereo>beta</stereo>,7<stereo>beta</stereo>,16<stereo>beta</stereo> stereoisomer). Isolated from <ital>Sinularia crispa</ital>, it exhibits spermatostatic activity. ChEBI CHEBI:66487
      A steroid saponin that is 3,7,16-trihydroxyergosta-5,24(28)-diene substituted by a 4-O-acetyl-6-deoxy-alpha-L-galactopyranosyl residue at position ; 3 via a glycosidic linkage (the 3beta,7beta,16beta stereoisomer). Isolated from Sinularia crispa, it exhibits spermatostatic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66487
      A steroid saponin that is 3,7,16-trihydroxyergosta-5,24(28)-diene substituted by a 4-O-acetyl-6-deoxy-alpha-L-galactopyranosyl residue at position 3 via a glycosidic linkage (the 3beta,7beta,16beta st ereoisomer). Isolated from Sinularia crispa, it exhibits spermatostatic activity. ChEBI CHEBI:66487

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.3±6.0 kJ/mol
Flash Point: 209.4±26.4 °C
Index of Refraction: 1.559
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 13933.56
ACD/KOC (pH 5.5): 32203.82
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13933.47
ACD/KOC (pH 7.4): 32203.61
Polar Surface Area: 126 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 523.2±5.0 cm3

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