Glycoside
GD021457
Name:
NoneFormula:
C25H28O8NPSmiles:
O=C(NOCc1ccccc1)[C@H](O)[C@H](O)COP(=O)(OCc1ccccc1)OCc1ccccc1Aglycone:
NOCc1ccccc1.O=[PH](OCc1ccccc1)OCc1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 14 |
| MolWt: | 501.47 | Num_heavy_atoms: | 35 |
| TPSA: | 123.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD06019
Formula: C14H15O3P
Smiles:
O=[PH](OCc1ccccc1)OCc1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 262.25 | Num_heavy_atoms: | 18 |
| TPSA: | 35.53 | NumAromaticRings: | 2 |
AD14675
Formula: C7H9ON
Smiles:
NOCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 123.15 | Num_heavy_atoms: | 9 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
