ChemSpider 2D Image | (2'S,3S,4b'R,7'S,10a'R)-2'-{(2S,3S)-3-[(2R)-2-(beta-D-Glucopyranosyloxy)-4-methyl-3-penten-1-yl]-3-methyl-2-oxiranyl}-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-7 '-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C48H78O19

(2'S,3S,4b'R,7'S,10a'R)-2'-{(2S,3S)-3-[(2R)-2-(β-D-Glucopyranosyloxy)-4-methyl-3-penten-1-yl]-3-methyl-2-oxiranyl}-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-7 '-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC48H78O19
  • Average mass959.122 Da
  • Monoisotopic mass958.513733 Da
  • ChemSpider ID35014739

  • defined stereocentres - 23 of 25 defined stereocentres

More details:

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

(2'S,3S,4b'R,7'S,10a'R)-2'-{(2S,3S)-3-[(2R)-2-(β-D-Glucopyranosyloxy)-4-methyl-3-penten-1-yl]-3-methyl-2-oxiranyl}-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-7 '-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2'S,3S,4b'R,7'S,10a'R)-2'-{(2S,3S)-3-[(2R)-2-(β-D-Glucopyranosyloxy)-4-methyl-3-penten-1-yl]-3-methyl-2-oxiranyl}-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-7 '-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (2'S,3S,4b'R,7'S,10a'R)-2'-{(2S,3S)-3-[(2R)-2-(β-D-glucopyranosyloxy)-4-méthyl-3-pentén-1-yl]-3-méthyl-2-oxiranyl}-4b',8',8',10a'-tét raméthyl-5-oxotétradécahydro-2'H-spiro[furan-3,1'-phenanthren]-7'-yle [French] [ACD/IUPAC Name]
Spiro[furan-3(2H),1'(2'H)-phenanthren]-5(4H)-one, 7'-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2'-[(2S,3S)-3-[(2R)-2-(β-D-glucopyranosyloxy)-4-methyl-3-penten-1-yl]-3-methyl oxiranyl]dodecahydro-4'b,8',8',10'a-tetramethyl-, (2'S,3S,4b'R,7'S,10a'R)- [ACD/Index Name]
(2'S,3S,4'bR,7'S,10'aR)-7'-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-2'-[(2S,3S)-3-methyl-3-[(2R)-4-methyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy
(2'S,3S,4'bR,7'S,10'aR)-7'-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-2'-[(2S,3S)-3-methyl-3-[(2R)-4-methyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]oxiran-2-yl]-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthrene]-5-one
Hoduloside I

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1041.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.4±6.0 kJ/mol
Flash Point: 295.9±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 236.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 132.08
ACD/KOC (pH 5.5): 1146.63
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 132.08
ACD/KOC (pH 7.4): 1146.62
Polar Surface Area: 297 Å2
Polarizability: 93.8±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 681.0±5.0 cm3

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