[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate

C131H202O57S5 — CID 46242401

IUPAC[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](SCCCOC2C(OCCCOCCOCCOCCOCCOCCO[C@@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2OCCCS[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C131H202O57S5/c1-71(2)33-26-34-72(3)96-37-38-97-95-36-35-93-65-94(39-41-130(93,24)98(95)40-42-131(96,97)25)157-59-58-156-57-56-155-55-54-154-53-52-153-51-50-152-43-27-44-158-109-110(159-45-28-60-189-125-120(179-88(19)147)115(174-83(14)142)104(169-78(9)137)99(184-125)66-164-73(4)132)112(161-47-30-62-191-127-122(181-90(21)149)117(176-85(16)144)106(171-80(11)139)101(186-127)68-166-75(6)134)114(163-49-32-64-193-129-124(183-92(23)151)119(178-87(18)146)108(173-82(13)141)103(188-129)70-168-77(8)136)113(162-48-31-63-192-128-123(182-91(22)150)118(177-86(17)145)107(172-81(12)140)102(187-128)69-167-76(7)135)111(109)160-46-29-61-190-126-121(180-89(20)148)116(175-84(15)143)105(170-79(10)138)100(185-126)67-165-74(5)133/h35,71-72,94-129H,26-34,36-70H2,1-25H3/t72-,94-,95+,96-,97+,98+,99-,100-,101-,102-,103-,104+,105+,106+,107+,108+,109?,110?,111?,112?,113?,114?,115+,116+,117+,118+,119+,120-,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131-/m1/s1
InChIKeyXSIZBIDMTPRAPF-YJPKNLQGSA-N
MW2849.33 g/mol
LogP11.24
Rot. Bonds81

About [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate (PubChem CID 46242401) has the molecular formula C131H202O57S5 and a molecular weight of 2849.33 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate
PubChem CID46242401
Molecular FormulaC131H202O57S5
Molecular Weight2849.33 g/mol
Exact Mass2847.15
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](SCCCOC2C(OCCCOCCOCCOCCOCCOCCO[C@@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2OCCCS[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C131H202O57S5/c1-71(2)33-26-34-72(3)96-37-38-97-95-36-35-93-65-94(39-41-130(93,24)98(95)40-42-131(96,97)25)157-59-58-156-57-56-155-55-54-154-53-52-153-51-50-152-43-27-44-158-109-110(159-45-28-60-189-125-120(179-88(19)147)115(174-83(14)142)104(169-78(9)137)99(184-125)66-164-73(4)132)112(161-47-30-62-191-127-122(181-90(21)149)117(176-85(16)144)106(171-80(11)139)101(186-127)68-166-75(6)134)114(163-49-32-64-193-129-124(183-92(23)151)119(178-87(18)146)108(173-82(13)141)103(188-129)70-168-77(8)136)113(162-48-31-63-192-128-123(182-91(22)150)118(177-86(17)145)107(172-81(12)140)102(187-128)69-167-76(7)135)111(109)160-46-29-61-190-126-121(180-89(20)148)116(175-84(15)143)105(170-79(10)138)100(185-126)67-165-74(5)133/h35,71-72,94-129H,26-34,36-70H2,1-25H3/t72-,94-,95+,96-,97+,98+,99-,100-,101-,102-,103-,104+,105+,106+,107+,108+,109?,110?,111?,112?,113?,114?,115+,116+,117+,118+,119+,120-,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131-/m1/s1
InChIKeyXSIZBIDMTPRAPF-YJPKNLQGSA-N
XLogP11.24
TPSA682.91 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds81
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002849.33
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(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]oxan-2-yl]methyl acetate
CID 70378924
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(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]oxan-2-yl]methyl acetate
CID 11093770
[(3R,4R,6S)-3,4-diacetyloxy-6-[[(10R,13R,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]-5-hydroxyoxan-2-yl]methyl acetate
CID 140862383
(2S,3S,4S,5S,6R)-2-[2-[2-[[(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]ethoxy]ethylsulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67945382
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[[(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]oxan-2-yl]methyl acetate
CID 10941573
N-[(2S,3R,4R,5S,6R)-2-[6-[[(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]hexylsulfanyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 70584974
2-[6-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]hexylsulfanyl]-6-methyloxane-3,4,5-triol
CID 12805535
2-[2-[[(10S,13S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethanol
CID 146367603
[(3S,10R,13R)-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] acetate
CID 6427285
[(10R,13R)-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] acetate
CID 167169582
[(3R,8S,9S,10R,13R,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 124900534
8-[[(8S,10R,13R,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]octan-1-ol
CID 121298106

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate (CID 46242401) is [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](SCCCOC2C(OCCCOCCOCCOCCOCCOCCO[C@@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(OCCCS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2OCCCS[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate?
The InChIKey is XSIZBIDMTPRAPF-YJPKNLQGSA-N. The full InChI is InChI=1S/C131H202O57S5/c1-71(2)33-26-34-72(3)96-37-38-97-95-36-35-93-65-94(39-41-130(93,24)98(95)40-42-131(96,97)25)157-59-58-156-57-56-155-55-54-154-53-52-153-51-50-152-43-27-44-158-109-110(159-45-28-60-189-125-120(179-88(19)147)115(174-83(14)142)104(169-78(9)137)99(184-125)66-164-73(4)132)112(161-47-30-62-191-127-122(181-90(21)149)117(176-85(16)144)106(171-80(11)139)101(186-127)68-166-75(6)134)114(163-49-32-64-193-129-124(183-92(23)151)119(178-87(18)146)108(173-82(13)141)103(188-129)70-168-77(8)136)113(162-48-31-63-192-128-123(182-91(22)150)118(177-86(17)145)107(172-81(12)140)102(187-128)69-167-76(7)135)111(109)160-46-29-61-190-126-121(180-89(20)148)116(175-84(15)143)105(170-79(10)138)100(185-126)67-165-74(5)133/h35,71-72,94-129H,26-34,36-70H2,1-25H3/t72-,94-,95+,96-,97+,98+,99-,100-,101-,102-,103-,104+,105+,106+,107+,108+,109?,110?,111?,112?,113?,114?,115+,116+,117+,118+,119+,120-,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131-/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate?
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate has a molecular weight of 2849.33 g/mol, XLogP of 11.24, 81 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-[2-[3-[2-[2-[2-[2-[2-[[(3R,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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]-3,4,5,6-tetrakis[3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropoxy]cyclohexyl]oxypropylsulfanyl]oxan-2-yl]methyl acetate is sourced from PubChem (CID 46242401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).