GD115929

Name:

desmethylcosmomycin c

Formula:

C59H86O21N2

Smiles:

CC1OC(OC2CCC(OC3C(C)OC(OC4c5c(O)c6c(c(O)c5C(OC5CC(N(C)C)C(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O5)CC4(C)O)C(=O)c4c(O)cccc4C6=O)CC3N(C)C)OC2C)CCC1O

Aglycone:

CC1OC(O)CCC1O.CC1OC(OC2CCC(OC3C(C)OC(OC4c5c(O)c6c(c(O)c5C(OC5CC(N(C)C)C(O)C(C)O5)CC4(C)O)C(=O)c4c(O)cccc4C6=O)CC3N(C)C)OC2C)CCC1O

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CNP0427330

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

AD45943

Formula: C47H66O16N2

Smiles:

CC1OC(OC2CCC(OC3C(C)OC(OC4c5c(O)c6c(c(O)c5C(OC5CC(N(C)C)C(O)C(C)O5)CC4(C)O)C(=O)c4c(O)cccc4C6=O)CC3N(C)C)OC2C)CCC1O

HBA:	18	RingCount:	8
HBD:	6	FractionCSP3:	0.7
AlogP:	3.52	Num_rotatable_bonds:	10
MolWt:	915.04	Num_heavy_atoms:	65
TPSA:	235.84	NumAromaticRings:	2