Glycoside
GD063231
Name:
NoneFormula:
C16H24O6N3Smiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)C[NH+](Cc1cc[nH]c1)C2Aglycone:
O=CN1CC2(C1)C[NH+](Cc1cc[nH]c1)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.38 | Num_heavy_atoms: | 25 |
| TPSA: | 130.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD30477
Formula: C11H16ON3
Smiles:
O=CN1CC2(C1)C[NH+](Cc1cc[nH]c1)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.27 | Num_heavy_atoms: | 15 |
| TPSA: | 40.54 | NumAromaticRings: | 1 |
