Glycoside
GD117821
Name:
3,4,5-trihydroxy-6-[4-(methylamino)phenoxy]oxane-2-carboxylic acidFormula:
C13H17O7NSmiles:
CNc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1Aglycone:
CNc1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 299.28 | Num_heavy_atoms: | 21 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD47028
Formula: C7H9ON
Smiles:
CNc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.15 | Num_heavy_atoms: | 9 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
