GD122421

Name:

cororubicin

Formula:

C48H64O21N2

Smiles:

COC(=O)C1c2cc3c(c(O)c2CCC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(OC2CC(O)C(OC3CC(C)([NH+]([O-])O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)C(N(C)C)C1O

Aglycone:

CC1OC(O)CC(C)([NH+]([O-])O)C1O.COC(=O)C1c2cc3c(c(O)c2CCC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O

Sugarmoiety:

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O

Other Identifiers

• CNP0444972

AD47860

Formula: C29H31O11N

Smiles:

COC(=O)C1c2cc3c(c(O)c2CCC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O

HBA:	12	RingCount:	6
HBD:	5	FractionCSP3:	0.48
AlogP:	0.44	Num_rotatable_bonds:	2
MolWt:	569.56	Num_heavy_atoms:	41
TPSA:	183.29	NumAromaticRings:	2

AD49329

Formula: C7H15O5N

Smiles:

CC1OC(O)CC(C)([NH+]([O-])O)C1O

HBA:	6	RingCount:	1
HBD:	4	FractionCSP3:	1.0
AlogP:	-1.99	Num_rotatable_bonds:	1
MolWt:	193.2	Num_heavy_atoms:	13
TPSA:	97.42	NumAromaticRings:	0