Glycoside
GD148700
Name:
Udp-Beta-L-Threo-Pentopyranos-4-UloseFormula:
C14H20O16N2P2Smiles:
O=C1COC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OCC(=O)C(O)C1O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.26 | Num_heavy_atoms: | 34 |
| TPSA: | 273.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD59491
Formula: C6H12O11P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OCC(=O)C(O)C1O| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 322.1 | Num_heavy_atoms: | 19 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
