GD023451

Name:

None

Formula:

C104H156O35N12

Smiles:

C[C@@H]1O[C@H](OCCOCCOCCn2cc(COc3c4cc(C(C)(C)C)cc3Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn3)C4)nn2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)C2

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3358626

AD12755

Formula: C80H116O16N12

Smiles:

CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)C2

HBA:	28	RingCount:	9
HBD:	4	FractionCSP3:	0.6
AlogP:	8.34	Num_rotatable_bonds:	44
MolWt:	1501.88	Num_heavy_atoms:	108
TPSA:	314.52	NumAromaticRings:	8