GD129160

Name:

2-{[2-({2,22-dihydroxy-23-methoxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl}oxy)-4-hydroxy-5-{[4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C59H98O28

Smiles:

COC1OC23CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12C(O)CC(C)(C)CC23

Aglycone:

COC1OC23CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12C(O)CC(C)(C)CC23

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0165472

AD52320

Formula: C31H52O5

Smiles:

COC1OC23CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12C(O)CC(C)(C)CC23

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	5.3	Num_rotatable_bonds:	1
MolWt:	504.75	Num_heavy_atoms:	36
TPSA:	79.15	NumAromaticRings:	0