GD013837

Name:

None

Formula:

C77H84O24N14

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](Cc2ccc3nc(NC4O[C@H](OC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@H]4COC(=O)c4ccccc4)oc3c2)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(Cc2ccc3nc(N)oc3c2)NC1=O.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:

OCC1C(O)OOC(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL404986

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	NumAromaticRings:	1

AD00480

Formula: C8H8O2

Smiles:

COC(=O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.47	Num_rotatable_bonds:	1
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	26.3	NumAromaticRings:	1

AD10265

Formula: C37H48O10N14

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(Cc2ccc3nc(N)oc3c2)NC1=O

HBA:	24	RingCount:	6
HBD:	17	FractionCSP3:	0.43
AlogP:	-6.4	Num_rotatable_bonds:	9
MolWt:	848.88	Num_heavy_atoms:	61
TPSA:	388.16	NumAromaticRings:	3