ChemSpider 2D Image | (3beta,5xi,18alpha)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-[alpha-D-glucopyranosyl-(1->3)]-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-23-hydr oxyolean-12-en-28-oic acid | C59H96O26

(3β,5ξ,18α)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->2)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hydr oxyolean-12-en-28-oic acid

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID2338951

  • defined stereocentres - 31 of 33 defined stereocentres

More details:

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

(3β,5ξ,18α)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->2)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hydr oxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,18α)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-α-L-mannopyranosyl-(1->2)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-23-hy droxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,18α)-3-{[6-désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-α-L-mannopyranosyl-(1->2)-[α-D-glucopyranosyl-(1->3)]-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy} -23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[α-D-glucopyranosyl-(1->3)]-O-[β-D-glucopyranosyl-(1->4)]-α-L-arabinopyranosyl ]oxy]-23-hydroxy-, (3β,5ξ,18α)- [ACD/Index Name]
(3β,4α)-3-((O-6-Deoxy-α-L-mannopyranosyl-(1-6)-O-(β-D-glucopyranosyl-(1-4))-O-β-D-glucopyranosyl-(1-3)-O-6-deoxy-α-L-mannopyranosyl-(1-2)-α-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid
(4AS,6AS,6BR,10S,12AR,12BR,14BR)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5R,6S)-4,5-DIHYDROXY-6-METHYL-3-{[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}OXAN-2-YL]OXY}-4-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-9-(HYDROXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID
152406-42-3 [RN]
3-((O-6-Deoxy-α-L-mannopyranosyl-(1-6)-O-(β-D-glucopyranosyl-(1-4))-O-β-D-glucopyranosyl-(1-3)-O-6-deoxy-α-L-mannopyranosyl-(1-2)-α-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid (3β,4α)-
Dipsacus saponin B
Hederagenin-3-O-glucopyranosyl-1-4-(rhamnopyranosyl-1-6)-glucopyranosyl-1-3-rhamnopyranosyl-1-2-arabinopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 4.61
ACD/KOC (pH 5.5): 56.68
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 413 Å2
Polarizability: 116.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 820.2±5.0 cm3

Click to predict properties on the Chemicalize site


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