GD006384

Name:

None

Formula:

C52H82O16N10S3

Smiles:

NCC1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O[C@H]2CSCCNC(=S)NCCCOCCCCOCCCNC(=S)NCc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:

CSCCNC(=S)NCCCOCCCCOCCCNC(=S)NCc1ccc2c(c1)C(=O)c1ccccc1C2=O.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4090774

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

AD05289

Formula: C30H40O4N4S3

Smiles:

CSCCNC(=S)NCCCOCCCCOCCCNC(=S)NCc1ccc2c(c1)C(=O)c1ccccc1C2=O

HBA:	8	RingCount:	3
HBD:	4	FractionCSP3:	0.47
AlogP:	3.85	Num_rotatable_bonds:	18
MolWt:	616.88	Num_heavy_atoms:	41
TPSA:	100.72	NumAromaticRings:	2