Glycoside
GD114942
Name:
5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H-pyrrole-2-carbaldehydeFormula:
C12H17O7NSmiles:
O=Cc1ccc(COC2OC(CO)C(O)C(O)C2O)[nH]1Aglycone:
O=Cc1ccc(CO)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.27 | Num_heavy_atoms: | 20 |
| TPSA: | 132.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD45376
Formula: C6H7O2N
Smiles:
O=Cc1ccc(CO)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
