GD139298

Name:

10,15,23,25-tetrahydroxy-19-(4-hydroxy-3-methoxyphenyl)-9-methoxy-5,27-bis[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4,18,20-trioxaheptacyclo[17.7.1.0²,¹⁷.0³,¹⁴.0⁵,¹³.0⁷,¹².0²¹,²⁶]heptacosa-2(17),3(14),7(12),8,10,15,21,23,25-nonaen-6-one

Formula:

C56H64O31

Smiles:

COc1cc(C23Oc4cc(O)cc(O)c4C(c4c(cc(O)c5c4OC4(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(=O)c6cc(OC)c(O)cc6C54)O2)C3OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O

Aglycone:

COc1cc(C23Oc4cc(O)cc(O)c4C(c4c(cc(O)c5c4OC4(O)C(=O)c6cc(OC)c(O)cc6C54)O2)C3O)ccc1O

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0325699

AD56170

Formula: C32H24O13

Smiles:

COc1cc(C23Oc4cc(O)cc(O)c4C(c4c(cc(O)c5c4OC4(O)C(=O)c6cc(OC)c(O)cc6C54)O2)C3O)ccc1O

HBA:	13	RingCount:	8
HBD:	7	FractionCSP3:	0.22
AlogP:	2.77	Num_rotatable_bonds:	3
MolWt:	616.53	Num_heavy_atoms:	45
TPSA:	204.83	NumAromaticRings:	4