MetaADEDB: Drug

MetaADEDB 2.0 @ LMMD

trisialoganglioside GT1

(NVNPEYQWKCQBBU-ADMXJUBYSA-N)

Structure

SMILES: CCCCCCCCCCCCC/C=C/C(C(O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](CO)[C@H]([C@H]([C@@H]1O)O[C@]1(C[C@H](O)[C@H]([C@@H](O1)C(C(CO)O)O)N)C(=O)O)O[C@H]1O[C@@H](CO)[C@H]([C@H]([C@@H]1NC(=O)C)O[C@H]1O[C@@H](CO)[C@H]([C@H]([C@@H]1O)O[C@]1(C[C@H](O)[C@H]([C@@H](O1)C(C(O[C@]1(C[C@H](O)[C@H]([C@@H](O1)C(C(CO)O)O)N)C(=O)O)O)O)N)C(=O)O)O)O)CNC(=O)CCCCCCCCCCCCCCCCC)O
Molecular Formula:: C88H157N5O44
Molecular Weight:: 1989.200
Log P:: -4.3868
Hydrogen Bond Acceptor:: 49
Hydrogen Bond Donor:: 30
TPSA:: 822.44
CAS Number(s):: N/A