GD115749

Name:

2-({[10-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2,5,11,17-tetrahydroxy-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16(21),17,19-nonaen-6-yl](hydroxy)methylidene}amino)-3-hydroxypropanoic acid

Formula:

C39H41O20N

Smiles:

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(OC1OC(C)C(O)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=O

Aglycone:

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(O)C3O)C2=O

Sugarmoiety:

CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0334309

AD45850

Formula: C28H23O12N

Smiles:

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(CO)C(=O)O)c1O)C(O)C3O)C2=O

HBA:	13	RingCount:	5
HBD:	8	FractionCSP3:	0.21
AlogP:	1.39	Num_rotatable_bonds:	5
MolWt:	565.49	Num_heavy_atoms:	41
TPSA:	234.64	NumAromaticRings:	3