GD030459

Name:

COSMOMYCIN C

Formula:

C60H88O21N2

Smiles:

CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O[C@@H]1C[C@H](N(C)C)[C@H](O[C@@H]2CC[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)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CCC(OC4CCC(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CHEMBL2152009
• CNP0191309

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

AD19710

Formula: C48H68O16N2

Smiles:

CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CCC(OC4CCC(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O

HBA:	18	RingCount:	8
HBD:	6	FractionCSP3:	0.71
AlogP:	3.91	Num_rotatable_bonds:	11
MolWt:	929.07	Num_heavy_atoms:	66
TPSA:	235.84	NumAromaticRings:	2