Glycoside
GD117830
Name:
{2-[(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)methoxy]-3,4-dihydroxybutoxy}({3-formylbicyclo[3.1.0]hex-2-en-6-yl}methoxy)phosphinic acidFormula:
C17H24O9N3PSmiles:
N=c1ccn(COC(COP(=O)(O)OCC2C3C=C(C=O)CC32)C(O)CO)c(O)n1Aglycone:
Cn1ccc(=N)nc1O.O=CC1=CC2C(CO[PH](=O)O)C2C1Sugarmoiety:
OCC(O)C(COOO)OOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 12 |
| MolWt: | 445.37 | Num_heavy_atoms: | 30 |
| TPSA: | 184.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD47033
Formula: C5H7ON3
Smiles:
Cn1ccc(=N)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 61.9 | NumAromaticRings: | 1 |
AD47034
Formula: C8H11O4P
Smiles:
O=CC1=CC2C(CO[PH](=O)O)C2C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 202.15 | Num_heavy_atoms: | 13 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
