Glycoside
GD121058
Name:
[(5-{2-[5-(1,2-dithiolan-3-yl)pentanamido]-6-oxo-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acidFormula:
C18H26O9N5PS2Smiles:
O=P(O)(O)OCC1OC(n2cnc3c(O)nc(N=C(O)CCCCC4CCSS4)nc32)C(O)C1OAglycone:
COP(=O)(O)O.OC(CCCCC1CCSS1)=Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 551.54 | Num_heavy_atoms: | 35 |
| TPSA: | 212.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD48695
Formula: C13H16O2N5S2
Smiles:
OC(CCCCC1CCSS1)=Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.44 | Num_heavy_atoms: | 22 |
| TPSA: | 105.06 | NumAromaticRings: | 1 |
