Glycoside
GD038784
Name:
3-[8-((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acidFormula:
C14H18O9N4Smiles:
O=C(O)CCc1nc2c(=O)[nH]c(=O)[nH]c2n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c1=OAglycone:
Cn1c(=O)c(CCC(=O)O)nc2c(=O)[nH]c(=O)[nH]c21Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -4.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 386.32 | Num_heavy_atoms: | 27 |
| TPSA: | 218.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD24141
Formula: C10H10O5N4
Smiles:
Cn1c(=O)c(CCC(=O)O)nc2c(=O)[nH]c(=O)[nH]c21| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.21 | Num_heavy_atoms: | 19 |
| TPSA: | 137.91 | NumAromaticRings: | 2 |
