GD017284

Name:

None

Formula:

C43H71O17N15

Smiles:

CC(C)[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(=O)N[C@H](CCC(=O)NCCOC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(N)=O

Aglycone:

COCCNC(=O)CCC(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CCCNC(=N)N)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(N)=O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4284026

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

AD12347

Formula: C35H63O12N13

Smiles:

COCCNC(=O)CCC(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CCCNC(=N)N)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(N)=O

HBA:	25	RingCount:	1
HBD:	18	FractionCSP3:	0.71
AlogP:	-7.07	Num_rotatable_bonds:	28
MolWt:	857.97	Num_heavy_atoms:	60
TPSA:	418.7	NumAromaticRings:	0