GD124418

Name:

{6-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3-[(3,4-dihydroxy-6-methyl-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}methyl butanoate

Formula:

C41H69O29N

Smiles:

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

Aglycone:

CCCC(=O)OC.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)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0155815

AD01168

Formula: C5H10O2

Smiles:

CCCC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.8
AlogP:	0.96	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	26.3	NumAromaticRings:	0

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