GD006552

Name:

None

Formula:

C50H66O20N2

Smiles:

COc1ccc(N=Nc2c(O)cc(O)c3c(O)c4c(cc23)C[C@H]([C@H](OC)C(=O)[C@H](O)[C@H](C)O)[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@H](O[C@@H]5C[C@@](C)(O)[C@H](OC(=O)C(C)C)[C@H](C)O5)[C@H](O)[C@H](C)O3)[C@H](O)[C@H](C)O2)C4=O)cc1

Aglycone:

CC(C)C(=O)O.COc1ccc(N=Nc2c(O)cc(O)c3c(O)c4c(cc23)CCC(O)C4=O)cc1

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O

Other Identifiers

• CHEMBL576382

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD05413

Formula: C21H18O6N2

Smiles:

COc1ccc(N=Nc2c(O)cc(O)c3c(O)c4c(cc23)CCC(O)C4=O)cc1

HBA:	8	RingCount:	4
HBD:	4	FractionCSP3:	0.19
AlogP:	3.87	Num_rotatable_bonds:	3
MolWt:	394.38	Num_heavy_atoms:	29
TPSA:	131.94	NumAromaticRings:	3