Molecular Identity
2220148-40-1
PubChem CID: 148494876
2D Structure
Properties
C58H83NO17
Molecular Formula
1066.30
Molecular Weight
g/mol
1065.5661
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
202
TPSA
May have limited oral absorption
2
H-Bond Donors
18
H-Bond Acceptors
2270
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC(C(O4)CN)O)C)C)OC9CC(C1=C)O2)CIsomeric SMILES
SMILES: C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@H]([C@H](O4)CN)O)C)C)O[C@H]9C[C@H](C1=C)O2)CSynonyms(5)
2220148-40-1E7130SCHEMBL26352941EX-A7119F81330
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2220148-40-1
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