GD032017

Name:

None

Formula:

C78H136O31N31P3S

Smiles:

CC(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](CCCCn1cc(CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2OP(=O)(O)O)nn1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O)[C@H](C)O

Aglycone:

COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSCc1cn(CCCCC(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(C)=O)C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O)nn1.Nc1ncnc2c1N=C[N]2.O=P(O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3098705

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

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

AD20569

Formula: C69H126O25N26P2S

Smiles:

COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSCc1cn(CCCCC(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(C)=O)C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O)nn1

HBA:	51	RingCount:	2
HBD:	32	FractionCSP3:	0.72
AlogP:	-9.14	Num_rotatable_bonds:	62
MolWt:	1813.94	Num_heavy_atoms:	123
TPSA:	811.23	NumAromaticRings:	1