GD120140

Name:

Acarviostatin Iii03

Formula:

C75H125O46N3

Smiles:

CC1OC(OC2C(C)OC(OC3C(CO)=CC(NC4C(C)OC(OC5C(C)OC(OC6C(CO)=CC(NC7C(C)OC(OC8C(C)OC(OC9C(C)OC(OC%10C(C)OC(OC%11C(C)OC(O)C(O)C%11O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0113442

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