GD026328

Name:

None

Formula:

C54H105O27N11S4

Smiles:

NCC1OC(OC2C(CSCCOCCSSCCOCCSCC3OC(OC4C(O)C(O)CC(N)C4OC4OC(CN)C(O)C(O)C4N)C(O)C3OC3OC(CN)C(O)C(O)C3N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O

Aglycone:

CSCCOCCSSCCOCCSC.NC1CC(N)C(O)C(O)C1O.NC1CC(O)C(O)C(O)C1O

Sugarmoiety:

NCC1OC(O)C(N)C(O)C1O.NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

• CHEMBL384228

AD00009

Formula: C6H14O3N2

Smiles:

NC1CC(N)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	7	FractionCSP3:	1.0
AlogP:	-2.87	Num_rotatable_bonds:	0
MolWt:	162.19	Num_heavy_atoms:	11
TPSA:	112.73	NumAromaticRings:	0

AD01259

Formula: C10H22O2S4

Smiles:

CSCCOCCSSCCOCCSC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	3.13	Num_rotatable_bonds:	13
MolWt:	302.55	Num_heavy_atoms:	16
TPSA:	18.46	NumAromaticRings:	0

AD17359

Formula: C6H13O4N

Smiles:

NC1CC(O)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	6	FractionCSP3:	1.0
AlogP:	-2.84	Num_rotatable_bonds:	0
MolWt:	163.17	Num_heavy_atoms:	11
TPSA:	106.94	NumAromaticRings:	0