Glycoside
GD142205
Name:
3-(4-hydroxyphenyl)-2-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acidFormula:
C15H21O8NSmiles:
O=C(O)C(Cc1ccc(O)cc1)NCC1(O)OC(CO)C(O)C1OAglycone:
CNC(Cc1ccc(O)cc1)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 343.33 | Num_heavy_atoms: | 24 |
| TPSA: | 159.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD13588
Formula: C10H13O3N
Smiles:
CNC(Cc1ccc(O)cc1)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 195.22 | Num_heavy_atoms: | 14 |
| TPSA: | 69.56 | NumAromaticRings: | 1 |
