GD134325

Name:

d6-o-beta-hydroxybutyryl-acarviostatin i03

Formula:

C42H71O29N

Smiles:

CC(O)CC(=O)OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(C)C1OC1OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

COC(=O)CC(C)O.NC1C=C(CO)C(O)C(O)C1O

Sugarmoiety:

CC1OC(OC2C(O)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2C)C(O)C(O)C1O

Other Identifiers

• CNP0431421

AD02201

Formula: C7H13O4N

Smiles:

NC1C=C(CO)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	6	FractionCSP3:	0.71
AlogP:	-2.67	Num_rotatable_bonds:	1
MolWt:	175.18	Num_heavy_atoms:	12
TPSA:	106.94	NumAromaticRings:	0

AD39069

Formula: C5H10O3

Smiles:

COC(=O)CC(C)O

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	-0.07	Num_rotatable_bonds:	2
MolWt:	118.13	Num_heavy_atoms:	8
TPSA:	46.53	NumAromaticRings:	0