GD135777

Name:

4-{[5-amino-1-({1-[(1-carboxyethyl)carbamoyl]ethyl}carbamoyl)pentyl]carbamoyl}-4-(2-{2-[(3-acetamido-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[hydroxy({hydroxy[(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl)oxy]phosphoryl}oxy)phosphoryl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]propanamido}propanamido)butanoic acid

Formula:

C94H156O26N8P2

Smiles:

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(=O)O)C(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C1N=C(C)O

Aglycone:

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.CC(O)C(O)=NC(C)C(O)=NC(CCC(=O)O)C(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O

Sugarmoiety:

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O

Other Identifiers

• CNP0076967

AD24454

Formula: C55H92O7P2

Smiles:

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	0.6
AlogP:	18.44	Num_rotatable_bonds:	35
MolWt:	927.28	Num_heavy_atoms:	64
TPSA:	113.29	NumAromaticRings:	0

AD54898

Formula: C23H40O10N6

Smiles:

CC(O)C(O)=NC(C)C(O)=NC(CCC(=O)O)C(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O

HBA:	16	RingCount:	0
HBD:	10	FractionCSP3:	0.7
AlogP:	1.13	Num_rotatable_bonds:	18
MolWt:	560.61	Num_heavy_atoms:	39
TPSA:	283.8	NumAromaticRings:	0