GD123035

Name:

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

Formula:

C61H98O27

Smiles:

CC=C(C)C(=O)OC1C(O)C23C(O)OC4(CCC5C6(C)CCC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)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(O)C23C(O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C

Sugarmoiety:

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

Other Identifiers

• CNP0085996

AD47963

Formula: C37H58O8

Smiles:

CC=C(C)C(=O)OC1C(O)C23C(O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.89
AlogP:	5.7	Num_rotatable_bonds:	3
MolWt:	630.86	Num_heavy_atoms:	45
TPSA:	122.52	NumAromaticRings:	0