Glycoside
GD015774
Name:
NoneFormula:
C18H20O9NPSmiles:
NC(=O)c1cc([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)ccc1Oc1ccccc1Aglycone:
COP(=O)(O)O.NC(=O)c1ccccc1Oc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.33 | Num_heavy_atoms: | 29 |
| TPSA: | 168.77 | NumAromaticRings: | 2 |
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 |
AD11425
Formula: C13H11O2N
Smiles:
NC(=O)c1ccccc1Oc1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.24 | Num_heavy_atoms: | 16 |
| TPSA: | 52.32 | NumAromaticRings: | 2 |
