[(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate

C121H127N3O27 — CID 86658280

IUPAC[(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OCc5cn(CCCO[C@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](OC(=O)c7ccccc7)[C@H](O[C@H]7O[C@H](COC(=O)c8ccccc8)[C@@H](OC(=O)c8ccccc8)[C@H](O[C@H]8O[C@H](COC(=O)c9ccccc9)[C@@H](OC(=O)c9ccccc9)[C@H](OC(=O)c9ccccc9)[C@@H]8OC(=O)c8ccccc8)[C@@H]7OC(=O)c7ccccc7)[C@@H]6OC(=O)c6ccccc6)nn5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C121H127N3O27/c1-76(2)38-36-39-77(3)92-62-63-93-91-61-60-88-70-90(64-66-120(88,4)94(91)65-67-121(92,93)5)136-72-89-71-124(123-122-89)68-37-69-135-117-104(147-114(132)85-54-30-13-31-55-85)102(99(144-111(129)82-48-24-10-25-49-82)95(140-117)73-137-107(125)78-40-16-6-17-41-78)150-119-106(149-116(134)87-58-34-15-35-59-87)103(100(145-112(130)83-50-26-11-27-51-83)97(142-119)75-139-109(127)80-44-20-8-21-45-80)151-118-105(148-115(133)86-56-32-14-33-57-86)101(146-113(131)84-52-28-12-29-53-84)98(143-110(128)81-46-22-9-23-47-81)96(141-118)74-138-108(126)79-42-18-7-19-43-79/h6-35,40-59,71,76-77,88,90-106,117-119H,36-39,60-70,72-75H2,1-5H3/t77-,88?,90+,91+,92-,93+,94+,95-,96-,97-,98-,99-,100-,101+,102+,103+,104+,105+,106+,117+,118-,119-,120+,121-/m1/s1
InChIKeyGUJAXWRKVADEBU-HGECKVDHSA-N
MW2055.34 g/mol
LogP19.79
Rot. Bonds40

About [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate

[(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate (PubChem CID 86658280) has the molecular formula C121H127N3O27 and a molecular weight of 2055.34 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate
PubChem CID86658280
Molecular FormulaC121H127N3O27
Molecular Weight2055.34 g/mol
Exact Mass2053.87
IUPAC Name[(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OCc5cn(CCCO[C@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](OC(=O)c7ccccc7)[C@H](O[C@H]7O[C@H](COC(=O)c8ccccc8)[C@@H](OC(=O)c8ccccc8)[C@H](O[C@H]8O[C@H](COC(=O)c9ccccc9)[C@@H](OC(=O)c9ccccc9)[C@H](OC(=O)c9ccccc9)[C@@H]8OC(=O)c8ccccc8)[C@@H]7OC(=O)c7ccccc7)[C@@H]6OC(=O)c6ccccc6)nn5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C121H127N3O27/c1-76(2)38-36-39-77(3)92-62-63-93-91-61-60-88-70-90(64-66-120(88,4)94(91)65-67-121(92,93)5)136-72-89-71-124(123-122-89)68-37-69-135-117-104(147-114(132)85-54-30-13-31-55-85)102(99(144-111(129)82-48-24-10-25-49-82)95(140-117)73-137-107(125)78-40-16-6-17-41-78)150-119-106(149-116(134)87-58-34-15-35-59-87)103(100(145-112(130)83-50-26-11-27-51-83)97(142-119)75-139-109(127)80-44-20-8-21-45-80)151-118-105(148-115(133)86-56-32-14-33-57-86)101(146-113(131)84-52-28-12-29-53-84)98(143-110(128)81-46-22-9-23-47-81)96(141-118)74-138-108(126)79-42-18-7-19-43-79/h6-35,40-59,71,76-77,88,90-106,117-119H,36-39,60-70,72-75H2,1-5H3/t77-,88?,90+,91+,92-,93+,94+,95-,96-,97-,98-,99-,100-,101+,102+,103+,104+,105+,106+,117+,118-,119-,120+,121-/m1/s1
InChIKeyGUJAXWRKVADEBU-HGECKVDHSA-N
XLogP19.79
TPSA358.32 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002055.34
LogP ≤ 519.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate with MolForge

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Related Compounds

[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 86658287
4-[[(3S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]-1-(4,4-dimethylpentyl)triazole
CID 166839129
4-[[(3S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]-1-ethyltriazole;ethane
CID 142308701
[(2S,3S,4R,5R,6S)-6-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate
CID 10941826
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxolan-2-yl]methyl benzoate
CID 11445813
[(3R,4S,5R)-3,4,5-triacetyloxy-6-[[(5S,9S,14S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate
CID 45050661
[(3R,4S,6S)-3,4,5-tribenzoyloxy-6-[2-[2-[2-[6-[[(4R)-4-[(3R,10S,13R,17R)-10,13-dimethyl-3-[[(Z)-octadec-9-enyl]carbamoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl benzoate
CID 140539834
heptasodium;[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-6-[4-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate
CID 57413028
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-aminobenzoate
CID 168664953
[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-benzoylbenzoate
CID 10746095
[(3S,4S,6R)-3,4,5-tribenzoyloxy-6-[(2S)-6-[10,13-dimethyl-16-oxo-3-[(2R,5S)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohexoxy]oxan-2-yl]methyl benzoate
CID 89131492
N-[(2R,3R,4R,5S,6R)-2-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-2-phenylmethoxyacetamide
CID 101198268

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate (CID 86658280) is [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate is CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OCc5cn(CCCO[C@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](OC(=O)c7ccccc7)[C@H](O[C@H]7O[C@H](COC(=O)c8ccccc8)[C@@H](OC(=O)c8ccccc8)[C@H](O[C@H]8O[C@H](COC(=O)c9ccccc9)[C@@H](OC(=O)c9ccccc9)[C@H](OC(=O)c9ccccc9)[C@@H]8OC(=O)c8ccccc8)[C@@H]7OC(=O)c7ccccc7)[C@@H]6OC(=O)c6ccccc6)nn5)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate?
The InChIKey is GUJAXWRKVADEBU-HGECKVDHSA-N. The full InChI is InChI=1S/C121H127N3O27/c1-76(2)38-36-39-77(3)92-62-63-93-91-61-60-88-70-90(64-66-120(88,4)94(91)65-67-121(92,93)5)136-72-89-71-124(123-122-89)68-37-69-135-117-104(147-114(132)85-54-30-13-31-55-85)102(99(144-111(129)82-48-24-10-25-49-82)95(140-117)73-137-107(125)78-40-16-6-17-41-78)150-119-106(149-116(134)87-58-34-15-35-59-87)103(100(145-112(130)83-50-26-11-27-51-83)97(142-119)75-139-109(127)80-44-20-8-21-45-80)151-118-105(148-115(133)86-56-32-14-33-57-86)101(146-113(131)84-52-28-12-29-53-84)98(143-110(128)81-46-22-9-23-47-81)96(141-118)74-138-108(126)79-42-18-7-19-43-79/h6-35,40-59,71,76-77,88,90-106,117-119H,36-39,60-70,72-75H2,1-5H3/t77-,88?,90+,91+,92-,93+,94+,95-,96-,97-,98-,99-,100-,101+,102+,103+,104+,105+,106+,117+,118-,119-,120+,121-/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate?
[(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate has a molecular weight of 2055.34 g/mol, XLogP of 19.79, 40 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6S)-3,5-dibenzoyloxy-4-[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-(benzoyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[3-[4-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]propoxy]oxan-2-yl]methyl benzoate is sourced from PubChem (CID 86658280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).