Glycoside
GD062344
Name:
NoneFormula:
C17H23O7N2Smiles:
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C([NH3+])Cc1c[nH]c2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.38 | Num_heavy_atoms: | 26 |
| TPSA: | 159.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD30324
Formula: C12H15O2N2
Smiles:
COC(=O)C([NH3+])Cc1c[nH]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.26 | Num_heavy_atoms: | 16 |
| TPSA: | 69.73 | NumAromaticRings: | 2 |
