GD017659

Name:

None

Formula:

C69H90O25N12

Smiles:

C[C@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(=O)[C@H]([C@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@H](Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](COCC=C(c5ccccc5)c5ccccc5)[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)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O.COCC=C(c1ccccc1)c1ccccc1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL407934

AD00272

Formula: C36H48O10N12

Smiles:

CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O

HBA:	22	RingCount:	5
HBD:	16	FractionCSP3:	0.44
AlogP:	-6.42	Num_rotatable_bonds:	9
MolWt:	808.85	Num_heavy_atoms:	58
TPSA:	356.34	NumAromaticRings:	2

AD12584

Formula: C16H16O

Smiles:

COCC=C(c1ccccc1)c1ccccc1

HBA:	1	RingCount:	2
HBD:	0	FractionCSP3:	0.12
AlogP:	3.76	Num_rotatable_bonds:	4
MolWt:	224.3	Num_heavy_atoms:	17
TPSA:	9.23	NumAromaticRings:	2