(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-({2-[({[(1R,3aR,7S,9aR,9bS,11aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}carbonyl)amino]ethyl}amino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

化合物标识与属性

PubChem CID

177436212

SMILES

C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NCCNC(=O)O[C@H]4CC[C@@]5([C@H]6CC[C@]7([C@H](C6=CC=C5C4)CC[C@@H]7[C@H](C)C=C[C@H](C)C(C)C)C)C)O

Canonical SMILES

CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(=O)NCCN[C@@H]5[C@H](O)[C@H](O[C@H]6C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]7(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C6)O7)O[C@H](C)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C