GD143704

Name:

16-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,18,19-triol

Formula:

C45H76O20

Smiles:

CC(CCC1(O)OC2CC3C4CC(O)C5(O)CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CC(O)C5(O)CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0163202

AD57783

Formula: C27H46O6

Smiles:

CC(CO)CCC1(O)OC2CC3C4CC(O)C5(O)CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	1.0
AlogP:	2.83	Num_rotatable_bonds:	4
MolWt:	466.66	Num_heavy_atoms:	33
TPSA:	110.38	NumAromaticRings:	0