GD116291

Name:

Neurosporaside Peracetate

Formula:

C92H151O38N

Smiles:

CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2OC(COC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C(O)C(O)CCCCCCCCCCCCCC

Aglycone:

CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OC(OC2C(OCC3OC(OCC4OC(O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0085375

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

AD45255

Formula: C42H85O5N

Smiles:

CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC

HBA:	6	RingCount:	0
HBD:	5	FractionCSP3:	0.98
AlogP:	11.69	Num_rotatable_bonds:	39
MolWt:	684.14	Num_heavy_atoms:	48
TPSA:	113.51	NumAromaticRings:	0