GD016249

Name:

None

Formula:

C103H179O32N9

Smiles:

CCCCCCCCC=CCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C(C)CCC(=O)NCCCC(=O)NCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)COCCC(=O)NCCCNC(=O)CCCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@]4(C)CC[C@H]32)C1

Aglycone:

CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(=O)NCCCC(=O)NCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO)(COCCC(=O)NCCCNC(=O)CCCCO)COCCC(=O)NCCCNC(=O)CCCCO)CCC32)C1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2368213

AD11726

Formula: C85H149O17N9

Smiles:

CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(=O)NCCCC(=O)NCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO)(COCCC(=O)NCCCNC(=O)CCCCO)COCCC(=O)NCCCNC(=O)CCCCO)CCC32)C1

HBA:	26	RingCount:	4
HBD:	12	FractionCSP3:	0.84
AlogP:	9.37	Num_rotatable_bonds:	66
MolWt:	1569.17	Num_heavy_atoms:	111
TPSA:	376.58	NumAromaticRings:	0