GD006746

Name:

None

Formula:

C100H104O40N4

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@H]6O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)cc5)c5nc(c(-c6ccc(O[C@@H]7O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)cc6)c6ccc([nH]6)c(-c6ccc(O[C@@H]7O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)cc6)c6ccc3[nH]6)CC5)C=C4)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.Oc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc2CC4)C=C3)cc1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1OOC(O)OC1O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL2303662
• CHEMBL2303734

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD03320

Formula: C44H32O4N4

Smiles:

Oc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc2CC4)C=C3)cc1

HBA:	8	RingCount:	9
HBD:	6	FractionCSP3:	0.05
AlogP:	9.76	Num_rotatable_bonds:	4
MolWt:	680.76	Num_heavy_atoms:	52
TPSA:	138.28	NumAromaticRings:	7