GD000235

Name:

None

Formula:

C66H88O26N12

Smiles:

COc1ccc2cc(CO[C@@H]3[C@H](CO)O[C@H](O[C@@H]4[C@H](CO)O[C@H](Oc5ccc(C[C@@H]6NC(=O)[C@H]([C@H](C)c7ccccc7)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]7CN=C(N)N7[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)NC(=O)[C@H]([C@H](O)[C@@H]7CN=C(N)N7)NC6=O)cc5)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)ccc2c1

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.COc1ccc2cc(CO)ccc2c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL264578

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

AD00273

Formula: C12H12O2

Smiles:

COc1ccc2cc(CO)ccc2c1

HBA:	2	RingCount:	2
HBD:	1	FractionCSP3:	0.17
AlogP:	2.34	Num_rotatable_bonds:	2
MolWt:	188.23	Num_heavy_atoms:	14
TPSA:	29.46	NumAromaticRings:	2