GD018126

Name:

None

Formula:

C69H92O27N12

Smiles:

COc1ccc(CO[C@@H]2[C@H](CO)O[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]2O)cc1OCc1ccccc1

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.COc1ccc(CO)cc1OCc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL439262

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

AD12843

Formula: C15H16O3

Smiles:

COc1ccc(CO)cc1OCc1ccccc1

HBA:	3	RingCount:	2
HBD:	1	FractionCSP3:	0.2
AlogP:	2.77	Num_rotatable_bonds:	5
MolWt:	244.29	Num_heavy_atoms:	18
TPSA:	38.69	NumAromaticRings:	2