GD027321

Name:

None

Formula:

C44H69O26N9P2S

Smiles:

CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)C(=O)O

Aglycone:

CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)O.COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

CC(=O)NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1779329

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

AD00305

Formula: CH6O7P2

Smiles:

COP(=O)(O)OP(=O)(O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.16	Num_rotatable_bonds:	3
MolWt:	192.0	Num_heavy_atoms:	10
TPSA:	113.29	NumAromaticRings:	0

AD17378

Formula: C27H44O10N6S

Smiles:

CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)O

HBA:	16	RingCount:	2
HBD:	9	FractionCSP3:	0.74
AlogP:	-1.2	Num_rotatable_bonds:	20
MolWt:	644.75	Num_heavy_atoms:	44
TPSA:	252.36	NumAromaticRings:	0