GD122205

Name:

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

Formula:

C58H96O28

Smiles:

CC1(C)CC(O)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(OC7OCC(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(OC2O)C3C1

Aglycone:

CC1(C)CC(O)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3C1

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

• CNP0130616

AD49229

Formula: C30H50O5

Smiles:

CC1(C)CC(O)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3C1

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	4.64	Num_rotatable_bonds:	0
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0