Glycoside
GD135596
Name:
Angl#2Formula:
C13H18O10NPSmiles:
Nc1ccccc1C(=O)OC1OC(CO)C(O)C(OP(=O)(O)O)C1OAglycone:
Nc1ccccc1C(=O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.26 | Num_heavy_atoms: | 25 |
| TPSA: | 189.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD11856
Formula: C7H7O2N
Smiles:
Nc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
