GD019949

Name:

MIPRAGOSIDE

Formula:

C76H137O31N3

Smiles:

CCCCCCCCCCCCCC=C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C(=O)OC(C)C)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)OC(C)C)OC1C(O)C(O)CO.CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC

Sugarmoiety:

CC(=O)NC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL3989544

AD06054

Formula: C36H71O3N

Smiles:

CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.92
AlogP:	10.34	Num_rotatable_bonds:	32
MolWt:	565.97	Num_heavy_atoms:	40
TPSA:	69.56	NumAromaticRings:	0

AD13846

Formula: C14H25O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)OC(C)C)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.86
AlogP:	-3.0	Num_rotatable_bonds:	6
MolWt:	351.35	Num_heavy_atoms:	24
TPSA:	165.78	NumAromaticRings:	0