GD142108

Name:

5-{[5-({5-[(5-{[5,6-dihydroxy-3-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl]amino}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol

Formula:

C37H63O28N

Smiles:

CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0293551

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