GD020326

Name:

None

Formula:

C68H92O26N12

Smiles:

C[C@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]2CNC(N)N2[C@@H]2O[C@H](COC(=O)C(c3ccccc3)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CNC(N)N2)NC(=O)[C@H](Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)NC1=O

Aglycone:

CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O.COC(=O)C(c1ccccc1)c1ccccc1

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL607439

AD02629

Formula: C36H52O10N12

Smiles:

CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O

HBA:	22	RingCount:	5
HBD:	18	FractionCSP3:	0.5
AlogP:	-7.39	Num_rotatable_bonds:	9
MolWt:	812.89	Num_heavy_atoms:	58
TPSA:	355.68	NumAromaticRings:	2

AD04135

Formula: C15H14O2

Smiles:

COC(=O)C(c1ccccc1)c1ccccc1

HBA:	2	RingCount:	2
HBD:	0	FractionCSP3:	0.13
AlogP:	2.99	Num_rotatable_bonds:	3
MolWt:	226.28	Num_heavy_atoms:	17
TPSA:	26.3	NumAromaticRings:	2