Glycoside
GD116930
Name:
3-hydroxy-2-({3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl}oxy)propanoic acidFormula:
C9H17O12PSmiles:
O=C(O)C(CO)OC1OC(COP(=O)(O)O)C(O)C(O)C1OAglycone:
COP(=O)(O)O.O=C(O)C(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 348.2 | Num_heavy_atoms: | 22 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23734
Formula: C3H6O4
Smiles:
O=C(O)C(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 106.08 | Num_heavy_atoms: | 7 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
