GD141578

Name:

Neriaphin Peracetate

Formula:

C33H36O16

Smiles:

CC(=O)OCC1OC(Oc2cc(OC(C)=O)cc3cc4c(c(OC(C)=O)c23)C(C)OC(C)C4=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)Oc1cc(O)c2c(OC(C)=O)c3c(cc2c1)C(=O)C(C)OC3C.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0080353

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

AD57024

Formula: C19H18O7

Smiles:

CC(=O)Oc1cc(O)c2c(OC(C)=O)c3c(cc2c1)C(=O)C(C)OC3C

HBA:	7	RingCount:	3
HBD:	1	FractionCSP3:	0.32
AlogP:	3.06	Num_rotatable_bonds:	2
MolWt:	358.35	Num_heavy_atoms:	26
TPSA:	99.13	NumAromaticRings:	2