GD130673

Name:

2-(23-{[5-({6-[(acetyloxy)methyl]-5-{[4-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-N-methyl-14-oxooctacosanamido)acetic acid

Formula:

C87H139O45N

Smiles:

CCCCCC(CCCCCCCCC(=O)CCCCCCCCCCCCC(=O)N(C)CC(=O)O)OC1OC(CO)C(OC2OC(COC(C)=O)C(OC3OC(CO)C(O)C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3O)C(O)C2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CCCCCC(O)CCCCCCCCC(=O)CCCCCCCCCCCCC(=O)N(C)CC(=O)O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OC(OC2C(O)OC(CO)C(OC3OC(O)C(OC4OC(CO)C(O)C(OC5OC(O)C(O)C(O)C5O)C4O)C(O)C3OC3OC(O)OC(OC(C)=O)C3OC(C)=O)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0142769

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD52950

Formula: C31H59O5N

Smiles:

CCCCCC(O)CCCCCCCCC(=O)CCCCCCCCCCCCC(=O)N(C)CC(=O)O

HBA:	6	RingCount:	0
HBD:	2	FractionCSP3:	0.9
AlogP:	7.84	Num_rotatable_bonds:	28
MolWt:	525.82	Num_heavy_atoms:	37
TPSA:	94.91	NumAromaticRings:	0