GD130050

Name:

[3,4,5-tris(acetyloxy)-6-(6-{[4-({3,5-dioxo-2-[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}sulfanyl)butyl]sulfanyl}-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate

Formula:

C38H48O22N6S2

Smiles:

CC(=O)OCC1OC(n2nc(SCCCCSc3nn(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=O)nc3O)c(O)nc2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=c1nc(O)c(SCCCCSc2n[nH]c(=O)nc2O)n[nH]1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0129789

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD47236

Formula: C10H12O4N6S2

Smiles:

O=c1nc(O)c(SCCCCSc2n[nH]c(=O)nc2O)n[nH]1

HBA:	10	RingCount:	2
HBD:	4	FractionCSP3:	0.4
AlogP:	-0.28	Num_rotatable_bonds:	7
MolWt:	344.38	Num_heavy_atoms:	22
TPSA:	157.74	NumAromaticRings:	2