GD136578

Name:

2-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-[(6-methoxy-7,9,13-trimethyl-6-{3-methyl-4-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]butyl}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C57H94O27

Smiles:

COC1OC(OCC(C)CCC2(OC)OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O.COC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0112014

AD00335

Formula: C28H46O4

Smiles:

COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.93
AlogP:	5.32	Num_rotatable_bonds:	5
MolWt:	446.67	Num_heavy_atoms:	32
TPSA:	58.92	NumAromaticRings:	0