GD155727

Name:

{10-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-2-hydroxy-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-9-yl}methyl acetate

Formula:

C50H80O19

Smiles:

CC(=O)OCC1(C)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)CCC2(C)C1CCC1(C)C2C=CC23OCC4(CCC(C)(C)CC42)C(O)CC13C

Aglycone:

CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC23OCC4(CCC(C)(C)CC42)C(O)CC13C

Sugarmoiety:

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0170854

AD19732

Formula: C32H50O5

Smiles:

CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC23OCC4(CCC(C)(C)CC42)C(O)CC13C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.91
AlogP:	5.67	Num_rotatable_bonds:	2
MolWt:	514.75	Num_heavy_atoms:	37
TPSA:	75.99	NumAromaticRings:	0