Glycoside
GD047330
Name:
NoneFormula:
C13H22O6N3Smiles:
Cc1cc(CN(C)C(=O)[C@H]2O[C@@H](C[NH3+])[C@H](O)[C@@H](O)[C@H]2O)no1Aglycone:
Cc1cc(CN(C)C=O)no1Sugarmoiety:
[NH3+]CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.33 | Num_heavy_atoms: | 22 |
| TPSA: | 143.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD25464
Formula: C7H10O2N2
Smiles:
Cc1cc(CN(C)C=O)no1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 154.17 | Num_heavy_atoms: | 11 |
| TPSA: | 46.34 | NumAromaticRings: | 1 |
