(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid | C42H62O16 | MFCD32661897, MFCD10566631 | CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O | AA01NCY3, AG01ND0V, AR01NDPV, ArZ-UP483540, BB69383, CFN95173, CSC159261859, E87118, HY-N6911, MS-31528, TN2289, Y1262405, ZX-CY005316 | Chemspace

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Home CSCS00159261859

Structure Info

Chemspace ID: CSCS00159261859 (Synthesis)

MFCD: MFCD32661897, MFCD10566631

IUPAC Name: (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Mol formula: C₄₂H₆₂O₁₆

Mol weight: 823 Da

Catalog Number(s): AA01NCY3, AG01ND0V, AR01NDPV, ArZ-UP483540, BB69383, CFN95173, CSC159261859, E87118, HY-N6911, MS-31528, TN2289, Y1262405, ZX-CY005316

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SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 3.13

Heavy atoms count: 58

Rotatable bond count: 7

Number of rings: 7

Carbon bond saturation, Fsp3: 0.85714285714286

Polar surface area (Å): 267

Hydrogen bond acceptors count: 16

Hydrogen bond donors count: 8

: Zoom the structure; CSCS00159261859

Items Overall 4 items from 3 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
Angene US	10 days	United States To:	98	5 mg	630	Go to cart Enquire
Description: Licorice-saponin H2; CAS: 118441-85-3
Key Organics Limited (BIONET)	10 days	United Kingdom To:	97	5 mg	790	Go to cart Enquire
AA BLOCKS	35 days	United States To:	99	5 mg	471	Go to cart Enquire
AA BLOCKS	35 days	United States To:	99	10 mg	723	Go to cart Enquire
Description: Licorice-saponin H2; CAS: 118441-85-3

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