GD031529

Name:

None

Formula:

C46H82O24N4S2

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OCCCCCNC(=O)CCCSSCCCC(=O)NCCCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O

Aglycone:

O=C(CCCSSCCCC(=O)NCCCCCO)NCCCCCO

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL3752898

AD20303

Formula: C18H36O4N2S2

Smiles:

O=C(CCCSSCCCC(=O)NCCCCCO)NCCCCCO

HBA:	6	RingCount:	0
HBD:	4	FractionCSP3:	0.89
AlogP:	2.49	Num_rotatable_bonds:	19
MolWt:	408.63	Num_heavy_atoms:	26
TPSA:	98.66	NumAromaticRings:	0