Glycoside
GD149503
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1-methyl-1H-pyrrole-2-carboxylateFormula:
C12H17O7NSmiles:
Cn1cccc1C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
Cn1cccc1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.27 | Num_heavy_atoms: | 20 |
| TPSA: | 121.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD14459
Formula: C6H7O2N
Smiles:
Cn1cccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.23 | NumAromaticRings: | 1 |
