GD014715

Name:

None

Formula:

C48H84O18N16S2

Smiles:

CC(=O)N(CCNC(=O)CSCCCCCCSC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1N)CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c(O)nc(N)nc21

Aglycone:

CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c(O)nc(N)nc21)C(C)=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

• CHEMBL411383

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

AD10787

Formula: C26H42O6N10S2

Smiles:

CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c(O)nc(N)nc21)C(C)=O

HBA:	16	RingCount:	2
HBD:	7	FractionCSP3:	0.62
AlogP:	-0.83	Num_rotatable_bonds:	21
MolWt:	654.82	Num_heavy_atoms:	44
TPSA:	231.76	NumAromaticRings:	2