GD020375

Name:

None

Formula:

C49H97O22N11S4

Smiles:

NCC1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@H]3O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)O[C@H]2CSCCOCCSSCCOCCSC[C@@H]2O[C@H](O[C@H]3[C@H](N)C[C@@H](N)[C@@H](O[C@@H]4O[C@H](CN)[C@H](O)C[C@H]4N)[C@H]3O)[C@H](O)[C@H](N)[C@H]2O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:

CSCCOCCSSCCOCCSC.NC1CC(N)C(O)C(O)C1O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O

Sugarmoiety:

NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)CC1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O.OO

Other Identifiers

• CHEMBL3037952

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

AD02993

Formula: C12H26O5N4

Smiles:

NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O

HBA:	9	RingCount:	2
HBD:	11	FractionCSP3:	1.0
AlogP:	-4.09	Num_rotatable_bonds:	3
MolWt:	306.36	Num_heavy_atoms:	21
TPSA:	183.23	NumAromaticRings:	0