GD011418

Name:

None

Formula:

C40H65O18N11

Smiles:

CO[C@@H]1[C@H](O[C@H]([C@H](NCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCNC(=N)N2)[C@H](O)C(C)C)C(=O)O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CNC(C)=O)[C@H]1O

Aglycone:

CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCNC(CO)C(=O)O)C(O)C(C)C)C1CCNC(=N)N1)C(=O)O.CNC(C)=O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

COC1C(OOC2OC(O)C(O)C2O)OC(O)C1O

Other Identifiers

• CHEMBL4284923

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD01019

Formula: C3H7ON

Smiles:

CNC(C)=O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	-0.25	Num_rotatable_bonds:	0
MolWt:	73.09	Num_heavy_atoms:	5
TPSA:	29.1	NumAromaticRings:	0

AD06977

Formula: C24H44O9N8

Smiles:

CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCNC(CO)C(=O)O)C(O)C(C)C)C1CCNC(=N)N1)C(=O)O

HBA:	17	RingCount:	1
HBD:	12	FractionCSP3:	0.75
AlogP:	-3.31	Num_rotatable_bonds:	17
MolWt:	588.66	Num_heavy_atoms:	41
TPSA:	274.33	NumAromaticRings:	0