GD003907

Name:

None

Formula:

C55H101O29N15S

Smiles:

CSCC[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)O)[C@H](C)O[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]1O)[C@H](C)O[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]1O

Aglycone:

CSCCC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O)C(C)O

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL269476

AD03478

Formula: C31H61O9N15S

Smiles:

CSCCC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O)C(C)O

HBA:	24	RingCount:	0
HBD:	22	FractionCSP3:	0.71
AlogP:	-5.87	Num_rotatable_bonds:	28
MolWt:	819.99	Num_heavy_atoms:	56
TPSA:	434.98	NumAromaticRings:	0