GD128564

Name:

15-acetyl-5-[(5-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-11,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-9-en-17-yl benzoate

Formula:

C56H82O21

Smiles:

COC1CC(OC2CCC3(C)C4CC(OC(=O)c5ccccc5)C5(C)C(O)(C(C)=O)CCC5(O)C4(O)C=C4OC43C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:

CC(=O)C1(O)CCC2(O)C3(O)C=C4OC45CC(O)CCC5(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0088626

AD52075

Formula: C28H34O8

Smiles:

CC(=O)C1(O)CCC2(O)C3(O)C=C4OC45CC(O)CCC5(C)C3CC(OC(=O)c3ccccc3)C12C

HBA:	8	RingCount:	6
HBD:	4	FractionCSP3:	0.64
AlogP:	2.03	Num_rotatable_bonds:	3
MolWt:	498.57	Num_heavy_atoms:	36
TPSA:	136.82	NumAromaticRings:	1