GD118376

Name:

2-({[10-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2,5,11,13,17-pentahydroxy-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)propanoic acid

Formula:

C39H41O20N

Smiles:

COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)C(O)C(OC1OC(C)C(O)C(OC2OCC(O)C(O)C2O)C1O)c1cc(C)c(C(O)=NC(C)C(=O)O)c(O)c1-3

Aglycone:

COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)C(O)C(O)c1cc(C)c(C(O)=NC(C)C(=O)O)c(O)c1-3

Sugarmoiety:

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

Other Identifiers

• CNP0218667

AD47326

Formula: C28H23O12N

Smiles:

COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)C(O)C(O)c1cc(C)c(C(O)=NC(C)C(=O)O)c(O)c1-3

HBA:	13	RingCount:	5
HBD:	8	FractionCSP3:	0.21
AlogP:	2.13	Num_rotatable_bonds:	4
MolWt:	565.49	Num_heavy_atoms:	41
TPSA:	234.64	NumAromaticRings:	3