Glycoside
GD148241
Name:
2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino}-3-phenylpropanoic acidFormula:
C14H19O6NSmiles:
O=C(O)C(Cc1ccccc1)NC1OC(CO)C(O)C1OAglycone:
NC(Cc1ccccc1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 297.31 | Num_heavy_atoms: | 21 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD24219
Formula: C9H11O2N
Smiles:
NC(Cc1ccccc1)C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
