GD125390

Name:

None

Formula:

C88H141O44N

Smiles:

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

Aglycone:

C=C(CCCCCCCCCCCCC(=O)CCCCCCCCC(O)CCCCC)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

• CNP0429468

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

AD50707

Formula: C32H61O4N

Smiles:

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

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.88
AlogP:	8.83	Num_rotatable_bonds:	29
MolWt:	523.84	Num_heavy_atoms:	37
TPSA:	77.84	NumAromaticRings:	0