GD000262

Name:

None

Formula:

C92H124O46N4

Smiles:

CO[C@H]1O[C@@H](O[C@H]2[C@@H](CO)O[C@@H](OCCCc3cccc(CCCO[C@H]4O[C@@H](CO)[C@@H](O[C@H]5O[C@@H](OC)[C@H](O)[C@@H](O[C@@]6(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(=O)c4ccc5ccccc5c4)c3)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[C@@]2(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.NC(=O)c1ccc2ccccc2c1.NC(=O)c1ccc2ccccc2c1.OCCCc1cccc(CCCO)c1

Sugarmoiety:

COC1OC(OC2C(CO)OC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.COC1OC(OC2C(CO)OC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1793853

AD00078

Formula: C11H9ON

Smiles:

NC(=O)c1ccc2ccccc2c1

HBA:	2	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	1.94	Num_rotatable_bonds:	1
MolWt:	171.2	Num_heavy_atoms:	13
TPSA:	43.09	NumAromaticRings:	2

AD00303

Formula: C11H18O9N

Smiles:

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

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.82
AlogP:	-5.21	Num_rotatable_bonds:	5
MolWt:	308.26	Num_heavy_atoms:	21
TPSA:	179.61	NumAromaticRings:	0

AD00304

Formula: C12H18O2

Smiles:

OCCCc1cccc(CCCO)c1

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	0.5
AlogP:	1.54	Num_rotatable_bonds:	6
MolWt:	194.27	Num_heavy_atoms:	14
TPSA:	40.46	NumAromaticRings:	1