Glycoside
GD037929
Name:
[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acidFormula:
C17H24O8N2Smiles:
C[C@H]1O[C@H]([C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
NC(Cc1ccc(O)cc1)C(=O)NCC(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.39 | Num_heavy_atoms: | 27 |
| TPSA: | 182.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD05719
Formula: C11H14O4N2
Smiles:
NC(Cc1ccc(O)cc1)C(=O)NCC(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 112.65 | NumAromaticRings: | 1 |
