Glycoside
GD016540
Name:
NoneFormula:
C13H17O11N2PSmiles:
CC(=O)c1cn(C2O[C@H](COP(=O)(O)CC(=O)O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CC(=O)c1c[nH]c(=O)[nH]c1=O.COP(=O)(O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.26 | Num_heavy_atoms: | 27 |
| TPSA: | 205.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD02255
Formula: C3H7O5P
Smiles:
COP(=O)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 154.06 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD09073
Formula: C6H6O3N2
Smiles:
CC(=O)c1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 82.79 | NumAromaticRings: | 1 |
