GD025906

Name:

None

Formula:

C90H131O48N4

Smiles:

COC(=O)N[C@H]1C(O)C(OC2C(O)[C@H](O[C@H]3C(CO)O[C@@H](OCCCO[C@H]4CCC[C@@H](OCCCO[C@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@@H](O)C(OC7C(O)[C@@H](NC(=O)OC)C([C@H](O)[C@H](O)CO)O[C@H]7C(=O)[O-])C6O)C(O[C@@H]6OC(C)[C@H](O)C(O)C6O)C5Nc5ccc6ccccc6c5)C4)C(Nc4ccc5ccccc5c4)C3O[C@@H]3OC(C)[C@H](O)C(O)C3O)OC(CO)[C@@H]2O)[C@H](C(=O)O)OC1[C@H](O)[C@H](O)CO

Aglycone:

COC(=O)NC1C(O)C(O)C(C(=O)O)OC1C(O)C(O)CO.COC(=O)NC1C(O)C(O)C(C(=O)[O-])OC1C(O)C(O)CO.Nc1ccc2ccccc2c1.Nc1ccc2ccccc2c1.OCCCOC1CCCC(OCCCO)C1

Sugarmoiety:

CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2021325
• CHEMBL2021326

AD05525

Formula: C11H19O10N

Smiles:

COC(=O)NC1C(O)C(O)C(C(=O)O)OC1C(O)C(O)CO

HBA:	11	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-4.0	Num_rotatable_bonds:	5
MolWt:	325.27	Num_heavy_atoms:	22
TPSA:	186.01	NumAromaticRings:	0

AD05526

Formula: C10H9N

Smiles:

Nc1ccc2ccccc2c1

HBA:	1	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	2.42	Num_rotatable_bonds:	0
MolWt:	143.19	Num_heavy_atoms:	11
TPSA:	26.02	NumAromaticRings:	2

AD05527

Formula: C12H24O4

Smiles:

OCCCOC1CCCC(OCCCO)C1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	1.1	Num_rotatable_bonds:	8
MolWt:	232.32	Num_heavy_atoms:	16
TPSA:	58.92	NumAromaticRings:	0

AD17123

Formula: C11H18O10N

Smiles:

COC(=O)NC1C(O)C(O)C(C(=O)[O-])OC1C(O)C(O)CO

HBA:	11	RingCount:	1
HBD:	6	FractionCSP3:	0.82
AlogP:	-5.34	Num_rotatable_bonds:	5
MolWt:	324.26	Num_heavy_atoms:	22
TPSA:	188.84	NumAromaticRings:	0