Glycoside
GD129392
Name:
2-amino-4-{[2-({[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxy}methyl)-4-hydroxyphenyl]carbamoyl}butanoic acidFormula:
C18H26O9N2Smiles:
CC(O)C(O)(C(=O)OCc1cc(O)ccc1NC(=O)CCC(N)C(=O)O)C(C)OAglycone:
Cc1cc(O)ccc1NC(=O)CCC(N)C(=O)OSugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 414.41 | Num_heavy_atoms: | 29 |
| TPSA: | 199.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD52416
Formula: C12H16O4N2
Smiles:
Cc1cc(O)ccc1NC(=O)CCC(N)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 252.27 | Num_heavy_atoms: | 18 |
| TPSA: | 112.65 | NumAromaticRings: | 1 |
