GD117863

Name:

6-acetyl-8-(acetyloxy)-14-({5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-9-yl 2-methylbutanoate

Formula:

C54H86O24

Smiles:

CCC(C)C(=O)OC1C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O

Aglycone:

CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC)C1O

Other Identifiers

• CNP0310255

AD47054

Formula: C28H42O7

Smiles:

CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.89
AlogP:	3.98	Num_rotatable_bonds:	5
MolWt:	490.64	Num_heavy_atoms:	35
TPSA:	102.43	NumAromaticRings:	0