GD030044

Name:

KITASAMYCIN

Formula:

C40H67O14N

Smiles:

CO[C@H]1[C@H](O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](O)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@H]1O

Aglycone:

CC(C)CC(=O)O.COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CHEMBL2106399
• CHEMBL2355304
• CNP0343766

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD02434

Formula: C20H32O7

Smiles:

COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1O

HBA:	7	RingCount:	1
HBD:	3	FractionCSP3:	0.7
AlogP:	1.15	Num_rotatable_bonds:	3
MolWt:	384.47	Num_heavy_atoms:	27
TPSA:	113.29	NumAromaticRings:	0