[(2R,3R,4S,5R,6R)-3,4-bis(acetyloxy)-5-{[(2S,3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-({[(2R,3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3-{[(2S,3R,4R,5
AlkaPlorer ID: AK456312
Synonym: None
IUPAC Name: [3,4-diacetyloxy-6-[[3,4-diacetyloxy-6-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-[[15-[7-[(4,5-dimethyl-2-oxooxolan-3-yl)amino]-6-methyl-7-oxohepta-3,5-dien-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Structure
SMILES: CC(=O)OCC1OC(OC2C(OCC3OC(OC4C(OC5CCC67CC68CCC6(C)C(C(C)C=CC=C(C)C(=O)NC9C(=O)OC(C)C9C)CCC6(C)C8CCC7C5(C)C)OC(COC(C)=O)C(OC(C)=O)C4OC(C)=O)C(OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(OC(C)=O)C3OC(C)=O)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChI: InChI=1S/C96H135NO43/c1-41(26-25-27-42(2)85(113)97-69-43(3)44(4)119-86(69)114)61-30-32-94(24)67-29-28-66-92(21,22)68(31-33-95(66)40-96(67,95)35-34-93(61,94)23)137-89-83(78(129-57(17)109)73(124-52(12)104)63(134-89)37-116-47(7)99)140-91-84(139-88-81(131-59(19)111)75(126-54(14)106)70(45(5)120-88)121-49(9)101)79(130-58(18)110)74(125-53(13)105)65(136-91)39-118-87-80(76(127-55(15)107)71(122-50(10)102)62(133-87)36-115-46(6)98)138-90-82(132-60(20)112)77(128-56(16)108)72(123-51(11)103)64(135-90)38-117-48(8)100/h25-27,41,43-45,61-84,87-91H,28-40H2,1-24H3,(H,97,113)
InChIKey: MJXNAMNWJOSVIF-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 1991.0999999999983
TPSA？: 542.2000000000002
MolLogP？: 5.701800000000009
Number of H-Donors: 1
Number of H-Acceptors: 43
RingCount: 11
Activities Information
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