GD128457

Name:

6-({21,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-2,22-bis[(2-methylbut-2-enoyl)oxy]-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl}oxy)-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:

C64H100O28

Smiles:

CC=C(C)C(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC23OC(O)C12C(OC(=O)C(C)=CC)C(O)C(C)(C)CC23

Aglycone:

CC=C(C)C(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC23OC(O)C12C(OC(=O)C(C)=CC)C(O)C(C)(C)CC23

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0214025

AD52029

Formula: C40H62O8

Smiles:

CC=C(C)C(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC23OC(O)C12C(OC(=O)C(C)=CC)C(O)C(C)(C)CC23

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.85
AlogP:	6.65	Num_rotatable_bonds:	4
MolWt:	670.93	Num_heavy_atoms:	48
TPSA:	122.52	NumAromaticRings:	0