GD019833

Name:

None

Formula:

C74H122O32N14S4

Smiles:

NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O[C@@H]2OC(CSCCOCCSCC(O)CN3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(CC(O)CSCCOCCSC[C@@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](N)C[C@@H](N)[C@H]4O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)C5=O)[C@H](O[C@@H]3O[C@H](CN)[C@H](O)C(O)[C@H]3N)[C@H]2O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:

CSCCOCCSCC(O)CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC(O)CSCCOCCSC)C3=O.NC1CC(N)C(O)C(O)C1O.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3037954

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

AD10347

Formula: C30H38O8N2S4

Smiles:

CSCCOCCSCC(O)CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC(O)CSCCOCCSC)C3=O

HBA:	10	RingCount:	4
HBD:	2	FractionCSP3:	0.53
AlogP:	2.98	Num_rotatable_bonds:	20
MolWt:	682.91	Num_heavy_atoms:	44
TPSA:	133.68	NumAromaticRings:	2