GD122861

Name:

2-({5-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-4-hydroxy-6-{[6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C69H116O37

Smiles:

CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0036969

AD01789

Formula: C27H46O4

Smiles:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	1.0
AlogP:	4.75	Num_rotatable_bonds:	4
MolWt:	434.66	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0