Glycoside
GD116299
Name:
Udp-D-Xylo-4-Keto-HexuronateFormula:
C15H18O12N2Smiles:
O=C(O)C1OC(OCC2OC(n3ccc(O)nc3=O)C(O)C2O)C(O)C(O)C1=OAglycone:
COC1OC(C(=O)O)C(=O)C(O)C1O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -4.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.31 | Num_heavy_atoms: | 29 |
| TPSA: | 218.1 | 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 |
AD46152
Formula: C7H10O7
Smiles:
COC1OC(C(=O)O)C(=O)C(O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.15 | Num_heavy_atoms: | 14 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
