Glycoside
GD062783
Name:
NoneFormula:
C15H22O9NSmiles:
C[NH2+]C[C@@H](O)[C@@]1(O)[C@@H](C(=O)O)O[C@@H](Oc2ccccc2)C(O)(O)[C@H]1OAglycone:
C[NH2+]CCO.Oc1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.34 | Num_heavy_atoms: | 25 |
| TPSA: | 173.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD30367
Formula: C3H10ON
Smiles:
C[NH2+]CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.12 | Num_heavy_atoms: | 5 |
| TPSA: | 36.84 | NumAromaticRings: | 0 |
