GD021206

Name:

MACROCIN

Formula:

C45H75O17N

Smiles:

CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OC

Aglycone:

CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1O

Other Identifiers

• CHEMBL263259
• CNP0186285

AD01623

Formula: C23H36O7

Smiles:

CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO

HBA:	7	RingCount:	1
HBD:	3	FractionCSP3:	0.7
AlogP:	1.98	Num_rotatable_bonds:	4
MolWt:	424.53	Num_heavy_atoms:	30
TPSA:	121.13	NumAromaticRings:	0