GD023102

Name:

None

Formula:

C64H90O25N12

Smiles:

C[C@H](c1ccccc1)C1NC(=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]5COC6(O[C@H]5[C@H](O)[C@H]4O)C4CC5CC(C4)CC6C5)[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.OC1OC2COC3(OC2C(O)C1O)C1CC2CC(C1)CC3C2

Sugarmoiety:

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

Other Identifiers

• CHEMBL413643

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

AD09362

Formula: C16H24O6

Smiles:

OC1OC2COC3(OC2C(O)C1O)C1CC2CC(C1)CC3C2

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.01	Num_rotatable_bonds:	0
MolWt:	312.36	Num_heavy_atoms:	22
TPSA:	88.38	NumAromaticRings:	0