GD146680

Name:

10-[2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-(2,3,4,5-tetrahydroxypentanoyl)-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-11-yl 3,4,5-trihydroxybenzoate

Formula:

C46H36O30

Smiles:

O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3C(=O)C(O)C(O)C(O)CO)c1cc(O)c(O)c(O)c1

Aglycone:

O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3)c1cc(O)c(O)c(O)c1

Sugarmoiety:

O=C(O)C(O)C(O)C(O)CO

Other Identifiers

• CNP0291755

AD54159

Formula: C41H28O25

Smiles:

O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3)c1cc(O)c(O)c(O)c1

HBA:	25	RingCount:	9
HBD:	15	FractionCSP3:	0.15
AlogP:	1.85	Num_rotatable_bonds:	3
MolWt:	920.65	Num_heavy_atoms:	66
TPSA:	434.95	NumAromaticRings:	5