GD030970

Name:

None

Formula:

C55H90O20N16S2

Smiles:

Cc1cn(CC(=O)N(CCNC(=O)CSCCCCCCSC[C@@H]2O[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)[C@H](O)[C@H]2O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)CC(=O)NCCN(CC(N)=O)C(=O)Cn2cnc3c2C=C(N)CC3=O)c(=O)[nH]c1=O

Aglycone:

CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c1C=C(N)CC2=O)C(=O)Cn1cc(C)c(=O)[nH]c1=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

• CHEMBL413473

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

AD20009

Formula: C33H48O8N10S2

Smiles:

CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c1C=C(N)CC2=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O

HBA:	18	RingCount:	3
HBD:	7	FractionCSP3:	0.55
AlogP:	-1.34	Num_rotatable_bonds:	23
MolWt:	776.94	Num_heavy_atoms:	53
TPSA:	257.68	NumAromaticRings:	2