GD127698

Name:

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

Formula:

C65H102O26

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C23COC4(CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(COC9OC(C)C(O)C(O)C9O)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C

Sugarmoiety:

CC1OC(OCC2OC(OC3C(O)COC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0272999

AD51717

Formula: C42H64O8

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C

HBA:	8	RingCount:	6
HBD:	1	FractionCSP3:	0.83
AlogP:	7.9	Num_rotatable_bonds:	5
MolWt:	696.97	Num_heavy_atoms:	50
TPSA:	108.36	NumAromaticRings:	0