GD153885

Name:

Avidinorubicin

Formula:

C60H86O22N4

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(N(C)C)C(O)C5Oc6c(ccc7c6C(=O)c6c(O)c8c(c(O)c6C7=O)C(OC6CC(N(C)C)C(O)C(C)O6)CC(C)(O)C8)C4(C)O5)CC3(C)N)CC2(C)N)OC(C)C1OC(=O)CCC(=O)O

Aglycone:

CC1OC(OC2CC(C)(O)Cc3c(O)c4c(c(O)c32)C(=O)c2ccc3c(c2C4=O)OC2OC3(C)C(OC3CC(C)(N)C(OC4CC(C)(N)C(O)C(C)O4)C(C)O3)C(N(C)C)C2O)CC(N(C)C)C1O.O=C(O)CCC(=O)O

Sugarmoiety:

COC1CC(O)OC(C)C1O

Other Identifiers

• CNP0340034

AD05635

Formula: C4H6O4

Smiles:

O=C(O)CCC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.06	Num_rotatable_bonds:	3
MolWt:	118.09	Num_heavy_atoms:	8
TPSA:	74.6	NumAromaticRings:	0

AD61166

Formula: C49H70O16N4

Smiles:

CC1OC(OC2CC(C)(O)Cc3c(O)c4c(c(O)c32)C(=O)c2ccc3c(c2C4=O)OC2OC3(C)C(OC3CC(C)(N)C(OC4CC(C)(N)C(O)C(C)O4)C(C)O3)C(N(C)C)C2O)CC(N(C)C)C1O

HBA:	20	RingCount:	9
HBD:	10	FractionCSP3:	0.71
AlogP:	1.15	Num_rotatable_bonds:	8
MolWt:	971.11	Num_heavy_atoms:	69
TPSA:	287.88	NumAromaticRings:	2