GD136636

Name:

2-({2-[(3,5-dihydroxy-2-{[6-hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C45H76O18

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0128102

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