GD030856

Name:

None

Formula:

C47H82O11N18

Smiles:

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCCCN(CC[C@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(=O)N[C@H](C)C(N)=O

Aglycone:

CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNCCCCCN(C)CCC(N)C(=O)O)C(=O)NC(C)C(N)=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4648995

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD19953

Formula: C38H73O8N13

Smiles:

CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNCCCCCN(C)CCC(N)C(=O)O)C(=O)NC(C)C(N)=O

HBA:	21	RingCount:	1
HBD:	16	FractionCSP3:	0.79
AlogP:	-2.65	Num_rotatable_bonds:	31
MolWt:	840.08	Num_heavy_atoms:	59
TPSA:	346.31	NumAromaticRings:	0