GD137907

Name:

3-ethenyl-4-({13-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]-8-hydroxy-1,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6,13-tetraen-12-yl}methyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula:

C43H54O19N2

Smiles:

C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1C(C2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C)=CN2c3ccccc3C3(O)CCN1C23

Aglycone:

C=CC1C(O)OC=C(C(=O)O)C1CC1C(C2C(C(=O)OC)=COC(O)C2C=C)=CN2c3ccccc3C3(O)CCN1C23

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0368667

AD55694

Formula: C31H34O9N2

Smiles:

C=CC1C(O)OC=C(C(=O)O)C1CC1C(C2C(C(=O)OC)=COC(O)C2C=C)=CN2c3ccccc3C3(O)CCN1C23

HBA:	11	RingCount:	6
HBD:	4	FractionCSP3:	0.42
AlogP:	1.94	Num_rotatable_bonds:	7
MolWt:	578.62	Num_heavy_atoms:	42
TPSA:	149.23	NumAromaticRings:	1