GD121718

Name:

2-[(6-{[6-({2,22-dihydroxy-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)-4,5-dihydroxyoxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C52H86O22

Smiles:

CC1(C)CC(O)C23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Aglycone:

CC1(C)CC(O)C23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

OCC1OC(OC2C(CO)OC(OC3COC(O)C(O)C3O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0292577

AD49010

Formula: C30H50O4

Smiles:

CC1(C)CC(O)C23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	4	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	5.32	Num_rotatable_bonds:	0
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	69.92	NumAromaticRings:	0