GD148997

Name:

4-{[6-({4-amino-6-[(4-amino-6-{[23-(dimethylamino)-10-{[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8,12,15,22-tetrahydroxy-12,24-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁹,¹⁴]pentacosa-2(19),3,5(18),7(16),8,14-hexaen-1-yl]oxy}-2,4-dimethyloxan-3-yl)oxy]-2,4-dimethyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-oxobutanoic acid

Formula:

C60H86O22N4

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC45OC(Oc6c4ccc4c6C(=O)c6c(O)c7c(c(O)c6C4=O)C(OC4CC(N(C)C)C(O)C(C)O4)CC(C)(O)C7)C(O)C(N(C)C)C5C)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(OC3CC(C)(N)C(OC4CC(C)(N)C(O)C(C)O4)C(C)O3)C(C)C(N(C)C)C2O)CC(N(C)C)C1O.O=C(O)CCC(=O)O

Sugarmoiety:

COC1CC(O)OC(C)C1O

Other Identifiers

• CNP0165239

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

AD59589

Formula: C49H70O16N4

Smiles:

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

HBA:	20	RingCount:	9
HBD:	10	FractionCSP3:	0.71
AlogP:	1.35	Num_rotatable_bonds:	8
MolWt:	971.11	Num_heavy_atoms:	69
TPSA:	287.88	NumAromaticRings:	2