GD133745

Name:

2-[(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-[(6-{[6,15-dihydroxy-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}-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-4,5-dihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C68H114O38

Smiles:

CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(OC8OC(CO)C(OC9OCC(O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(OC5OCC(O)C(O)C5O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0369198

AD06801

Formula: C27H46O5

Smiles:

CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	1.0
AlogP:	3.72	Num_rotatable_bonds:	4
MolWt:	450.66	Num_heavy_atoms:	32
TPSA:	90.15	NumAromaticRings:	0