GD010823

Name:

COSMOMYCIN B

Formula:

C40H53O14N

Smiles:

CC[C@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O[C@@H]1C[C@H](N(C)C)[C@H](O[C@@H]2C[C@H](O)[C@H](O[C@@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O2)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O

Aglycone:

CC1OC(O)CCC1O.CCC1(O)CCc2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CHEMBL2152008
• CNP0177480

AD00171

Formula: C6H12O3

Smiles:

CC1OC(O)CCC1O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.14	Num_rotatable_bonds:	0
MolWt:	132.16	Num_heavy_atoms:	9
TPSA:	49.69	NumAromaticRings:	0

AD08306

Formula: C28H33O9N

Smiles:

CCC1(O)CCc2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O

HBA:	10	RingCount:	5
HBD:	5	FractionCSP3:	0.5
AlogP:	2.15	Num_rotatable_bonds:	4
MolWt:	527.57	Num_heavy_atoms:	38
TPSA:	156.99	NumAromaticRings:	2