GD130620

Name:

6-hydroxy-16-[(4-hydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)-3-[(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]icosan-10-one

Formula:

C61H100O32

Smiles:

CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0182334

AD02296

Formula: C27H44O5

Smiles:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.96
AlogP:	3.93	Num_rotatable_bonds:	4
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	86.99	NumAromaticRings:	0