GD140503

Name:

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

Formula:

C44H70O13

Smiles:

CC(=O)OC1C(OC2C(O)C(C)OC(OC3CCC4(C)C(CCC5(C)C4C=CC46OCC7(CCC(C)(C)CC74)C(O)CC56C)C3(C)C)C2O)OC(CO)C(O)C1O

Aglycone:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC(=O)OC1C(OC2C(O)C(C)OC(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CNP0416879

AD09166

Formula: C30H48O3

Smiles:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	6.13	Num_rotatable_bonds:	0
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	49.69	NumAromaticRings:	0