Glycoside
GD114615
Name:
[({2-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methoxy]-3,4-dihydroxybutoxy}(hydroxy)phosphoryl)methyl]({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acidFormula:
C16H28O16N2P2Smiles:
O=c1nc(O)ccn1COC(COP(=O)(O)CP(=O)(O)OC1OC(CO)C(O)C(O)C1O)C(O)COAglycone:
Cn1ccc(O)nc1=O.O=[PH](O)CP(=O)(O)OSugarmoiety:
OCC(O)C(COOO)OO.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 566.35 | Num_heavy_atoms: | 36 |
| TPSA: | 288.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD06358
Formula: CH6O5P2
Smiles:
O=[PH](O)CP(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.0 | Num_heavy_atoms: | 8 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
AD45166
Formula: C5H6O2N2
Smiles:
Cn1ccc(O)nc1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
