GD144683

Name:

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[6-methoxy-7,9,13-trimethyl-6-(3-{[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}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C51H86O23

Smiles:

COC1(CCC(C)OC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:

COC1(CCC(C)O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

CC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0229973

AD46027

Formula: C27H46O4

Smiles:

COC1(CCC(C)O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	1.0
AlogP:	5.15	Num_rotatable_bonds:	4
MolWt:	434.66	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0