GD028531

Name:

None

Formula:

C68H108O27N12

Smiles:

COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCCCCCC(=O)N(CCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)CCC(=O)N(CCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)CCC(=O)N(CCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)CCC(=O)OC(C)(C)C)cc3)c2n1

Aglycone:

COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCCCCCC(=O)N(CCCO)CCC(=O)N(CCCO)CCC(=O)N(CCCO)CCC(=O)OC(C)(C)C)cc3)c2n1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4786083

AD18629

Formula: C44H69O12N9

Smiles:

COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCCCCCC(=O)N(CCCO)CCC(=O)N(CCCO)CCC(=O)N(CCCO)CCC(=O)OC(C)(C)C)cc3)c2n1

HBA:	21	RingCount:	3
HBD:	7	FractionCSP3:	0.64
AlogP:	1.21	Num_rotatable_bonds:	31
MolWt:	916.09	Num_heavy_atoms:	65
TPSA:	285.07	NumAromaticRings:	3