GD020839

Name:

None

Formula:

C90H120O46N4

Smiles:

CC(=O)N[C@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](OCCc4cccc(CCO[C@@H]5O[C@@H](CO)[C@H](O[C@H]6O[C@@H](CO)[C@@H](O)[C@@H](O[C@]7(C(=O)[O-])C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@@H]6O)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@@H]5NC(=O)c5ccc6ccccc6c5)c4)[C@H](NC(=O)c4ccc5ccccc5c4)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO

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.OCCc1cccc(CCO)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

• CHEMBL3215453

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

AD02645

Formula: C10H14O2

Smiles:

OCCc1cccc(CCO)c1

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	0.4
AlogP:	0.76	Num_rotatable_bonds:	4
MolWt:	166.22	Num_heavy_atoms:	12
TPSA:	40.46	NumAromaticRings:	1