GD022588

Name:

None

Formula:

C64H90O26N12

Smiles:

CCCOc1ccc(COC[C@@H]2O[C@H](O[C@@H]3[C@H](CO)O[C@H](Oc4ccc(C[C@@H]5NC(=O)[C@H]([C@H](C)c6ccccc6)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]6CN=C(N)N6[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)NC(=O)[C@H]([C@H](O)[C@@H]6CN=C(N)N6)NC5=O)cc4)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1

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.CCCOc1ccc(COC)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL414944

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

AD15295

Formula: C11H16O2

Smiles:

CCCOc1ccc(COC)cc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.45
AlogP:	2.62	Num_rotatable_bonds:	5
MolWt:	180.25	Num_heavy_atoms:	13
TPSA:	18.46	NumAromaticRings:	1