GD114521

Name:

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

Formula:

C63H104O31

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(OC9OC(O)C(O)C(O)C9O)C8OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Aglycone:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

OCC1OC(OC2C(O)COC(OC3C(OC4COC(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)OC(CO)C(O)C3OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0301212

AD04545

Formula: C30H50O3

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	6.35	Num_rotatable_bonds:	0
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	49.69	NumAromaticRings:	0