GD001455

Name:

None

Formula:

C108H184O35N10

Smiles:

CCCCCCCCC=CCCCCCCCC(=O)N[C@@H]1CC[C@]2(C)C(CC[C@H]3[C@@H]4CC[C@@H](C(C)CCC(=O)N[C@H](Cc5ccc(O)cc5)C(=O)NCC(=O)NC(COCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5NC(C)=O)(COCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5NC(C)=O)COCCC(=O)NCCOCCOCCOC5OC(CO)C(O)C(O)C5NC(C)=O)[C@]4(C)CC[C@H]32)C1

Aglycone:

CCCCCCCCC=CCCCCCCCC(=O)NC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCC(=O)NC(Cc4ccc(O)cc4)C(=O)NCC(=O)NC(COCCC(=O)NCCOCCOCCO)(COCCC(=O)NCCOCCOCCO)COCCC(=O)NCCOCCOCCO)CCC32)C1

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

• CHEMBL3138429

AD01458

Formula: C84H145O20N7

Smiles:

CCCCCCCCC=CCCCCCCCC(=O)NC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCC(=O)NC(Cc4ccc(O)cc4)C(=O)NCC(=O)NC(COCCC(=O)NCCOCCOCCO)(COCCC(=O)NCCOCCOCCO)COCCC(=O)NCCOCCOCCO)CCC32)C1

HBA:	27	RingCount:	5
HBD:	11	FractionCSP3:	0.82
AlogP:	7.63	Num_rotatable_bonds:	66
MolWt:	1573.11	Num_heavy_atoms:	111
TPSA:	367.69	NumAromaticRings:	1