GD129849

Name:

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

Formula:

C50H84O23

Smiles:

CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0314558

AD48059

Formula: C26H44O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	1.0
AlogP:	4.5	Num_rotatable_bonds:	3
MolWt:	420.63	Num_heavy_atoms:	30
TPSA:	69.92	NumAromaticRings:	0