GD036131

Name:

None

Formula:

C61H71O21N5

Smiles:

CN(C(=O)OCc1ccccc1)[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](NC(=O)OCc3ccccc3)[C@H](O)[C@H]2O)O[C@@H]2C[C@H](NC(=O)OCc3ccccc3)[C@H](O[C@@H]3[C@H](NC(=O)OCc4ccccc4)C[C@H](NC(=O)OCc4ccccc4)[C@H](O)[C@H]3O)O[C@H]2[C@H]1O

Aglycone:

CN(C(=O)OCc1ccccc1)C1C(O)OC2CC(NC(=O)OCc3ccccc3)C(OC3C(NC(=O)OCc4ccccc4)CC(NC(=O)OCc4ccccc4)C(O)C3O)OC2C1O.NC(=O)OCc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2385497

AD05503

Formula: C8H9O2N

Smiles:

NC(=O)OCc1ccccc1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.12
AlogP:	1.28	Num_rotatable_bonds:	2
MolWt:	151.16	Num_heavy_atoms:	11
TPSA:	52.32	NumAromaticRings:	1

AD22817

Formula: C47H54O15N4

Smiles:

CN(C(=O)OCc1ccccc1)C1C(O)OC2CC(NC(=O)OCc3ccccc3)C(OC3C(NC(=O)OCc4ccccc4)CC(NC(=O)OCc4ccccc4)C(O)C3O)OC2C1O

HBA:	19	RingCount:	7
HBD:	7	FractionCSP3:	0.4
AlogP:	3.21	Num_rotatable_bonds:	14
MolWt:	914.96	Num_heavy_atoms:	66
TPSA:	253.14	NumAromaticRings:	4