GD135011

Name:

(6-{[7,19-dihydroxy-11-(4-hydroxy-3-methoxyphenyl)-18-(hydroxymethyl)-3,13-dioxo-18-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,14,17-trioxatetracyclo[14.2.1.0⁴,¹².0⁵,¹⁰]nonadeca-5(10),6,8-trien-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetate

Formula:

C52H61O29N

Smiles:

COc1cc(C2c3cc(OC4OC(COC(=O)CC5C(O)=Nc6ccccc65)C(O)C(O)C4O)c(O)cc3C3C(=O)OC4C(O)C(COC(=O)C32)OC4(CO)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O

Aglycone:

COC(=O)CC1C(O)=Nc2ccccc21.COc1cc(C2c3cc(O)c(O)cc3C3C(=O)OC4C(O)C(COC(=O)C32)OC4(O)CO)ccc1O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0003063

AD13523

Formula: C24H24O12

Smiles:

COc1cc(C2c3cc(O)c(O)cc3C3C(=O)OC4C(O)C(COC(=O)C32)OC4(O)CO)ccc1O

HBA:	12	RingCount:	5
HBD:	6	FractionCSP3:	0.42
AlogP:	-0.43	Num_rotatable_bonds:	3
MolWt:	504.44	Num_heavy_atoms:	36
TPSA:	192.44	NumAromaticRings:	2

AD54612

Formula: C11H11O3N

Smiles:

COC(=O)CC1C(O)=Nc2ccccc21

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.27
AlogP:	1.93	Num_rotatable_bonds:	2
MolWt:	205.21	Num_heavy_atoms:	15
TPSA:	58.89	NumAromaticRings:	1