GD020956

Name:

None

Formula:

C56H91O28N11P2S

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)CCCCCNC(=O)CCCCCNC(=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)CCCCCNC(=O)CCCCCNC(=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

• CHEMBL1779330

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

AD05848

Formula: C39H66O12N8S

Smiles:

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

HBA:	20	RingCount:	2
HBD:	11	FractionCSP3:	0.77
AlogP:	0.16	Num_rotatable_bonds:	32
MolWt:	871.07	Num_heavy_atoms:	60
TPSA:	310.56	NumAromaticRings:	0