Glycoside
GD123723
Name:
Ep-UmpFormula:
C12H15O11N2PSmiles:
C=C(OC1C(COP(=O)(O)O)OC(n2ccc(O)nc2=O)C1O)C(=O)OAglycone:
C=C(O)C(=O)O.COP(=O)(O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.23 | Num_heavy_atoms: | 26 |
| TPSA: | 197.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
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 |
AD24206
Formula: C3H4O3
Smiles:
C=C(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.06 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
