GD143774

Name:

Glysperin C

Formula:

C44H77O19N7

Smiles:

CC(N)C(O)=NC1C(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(Oc5ccc(C(=O)NCCCNCCCCNCCCCN)cc5)C4O)C3O)C(O)C2O)OC(C)C(N)C1O

Aglycone:

CC(N)C(O)=NC1C(O)OC(C)C(N)C1O.NCCCCNCCCCNCCCNC(=O)c1ccc(O)cc1

Sugarmoiety:

OCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0206124

AD46250

Formula: C9H19O4N3

Smiles:

CC(N)C(O)=NC1C(O)OC(C)C(N)C1O

HBA:	7	RingCount:	1
HBD:	7	FractionCSP3:	0.89
AlogP:	-1.92	Num_rotatable_bonds:	2
MolWt:	233.27	Num_heavy_atoms:	16
TPSA:	134.32	NumAromaticRings:	0

AD46570

Formula: C18H32O2N4

Smiles:

NCCCCNCCCCNCCCNC(=O)c1ccc(O)cc1

HBA:	6	RingCount:	1
HBD:	6	FractionCSP3:	0.61
AlogP:	1.21	Num_rotatable_bonds:	14
MolWt:	336.48	Num_heavy_atoms:	24
TPSA:	99.41	NumAromaticRings:	1