GD001106

Name:

None

Formula:

C48H83O17N11

Smiles:

CCCCCNC[C@@H]1O[C@H](OC([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](C(=O)O)N(CCCCC)CCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCN=C(N)N2)[C@H](O)C(C)C)[C@H](OC)[C@H]1O

Aglycone:

CCCCCN(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCN=C(N)N1)C(O)C(C)C)C(CO)C(=O)O.CCCCCNC.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3142348

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

AD01151

Formula: C29H54O9N8

Smiles:

CCCCCN(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCN=C(N)N1)C(O)C(C)C)C(CO)C(=O)O

HBA:	17	RingCount:	1
HBD:	11	FractionCSP3:	0.79
AlogP:	-1.61	Num_rotatable_bonds:	21
MolWt:	658.8	Num_heavy_atoms:	46
TPSA:	268.04	NumAromaticRings:	0

AD01152

Formula: C6H15N

Smiles:

CCCCCNC

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	1.4	Num_rotatable_bonds:	4
MolWt:	101.19	Num_heavy_atoms:	7
TPSA:	12.03	NumAromaticRings:	0