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[(3S,9S,10R,13R,14S,17R)-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] N-[2-[4-[[2-[2-[9-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxynonanoylamino]ethy

Systemtic Name:	[(3S,9S,10R,13R,14S,17R)-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] N-[2-[4-[[2-[2-[9-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxynonanoylamino]ethy
Openeye Name:	[(3S,9S,10R,13R,14S,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[4-[[2-[2-[9-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,5-dihydroxy-tetrah
CAS Name:	N-[2-[4-[[2-[2-[[9-[[(2R,3S,4S,5R,6R)-4-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-3,5-dihydroxy-2-oxanyl]oxy]-1-oxononyl]amino]ethylamino]-3,4-dioxo-1-cyclobutenyl]amino]butylamino]ethyl]carbamic acid [(3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,1
IUPAC Name:	[(3S,9S,10R,13R,14S,17R)-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] N-[2-[4-[[2-[2-[9-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxynonanoylamino]ethylamino]-3,4-dioxocyc
Traditional Name:	N-[2-[4-[[2-[2-[9-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methylol-4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,5-dihydroxy-tetrahydropyran-2-yl]oxynonanoylamino]ethylamino]-3,4-diketo-cyclobuten-1-yl]amino]butylamino]ethyl]carbamic acid [(3S,9S,10R,13R,14S,17R)-17-(1,5-dimethylhexyl)-10,13-dim
Formula:	C₇₉H₁₃₃N₅O₃₁
MolecularWeight:	1648.91622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCNCCCCNC5=C(C(=O)C5=O)NCCNC(=O)CCCCCCCCOC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)C

Isomeric SMILES

CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCNCCCCNC5=C(C(=O)C5=O)NCCNC(=O)CCCCCCCCO[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)OC8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C

InChI

InChI=1S/C79H133N5O31/c1-39(2)15-14-16-40(3)44-20-21-45-43-19-18-41-33-42(22-24-78(41,4)46(43)23-25-79(44,45)5)107-77(104)84-29-28-80-26-11-12-27-82-53-54(61(96)60(53)95)83-31-30-81-52(89)17-10-8-6-7-9-13-32-105-72-67(102)70(114-76-71(64(99)57(92)49(36-87)111-76)115-75-66(101)63(98)56(91)48(35-86)110-75)59(94)51(112-72)38-106-73-68(103)69(58(93)50(37-88)108-73)113-74-65(100)62(97)55(90)47(34-85)109-74/h18,39-40,42-51,55-59,62-76,80,82-83,85-88,90-94,97-103H,6-17,19-38H2,1-5H3,(H,81,89)(H,84,104)/t40?,42-,43?,44+,45-,46-,47+,48+,49+,50+,51+,55+,56+,57+,58+,59+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73-,74?,75+,76+,78-,79+/m0/s1

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