Glycoside
GD049327
Name:
NoneFormula:
C13H21O6N3Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(C3CCOCC3)nn2)[C@@H]1OAglycone:
Cn1cc(C2CCOCC2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.33 | Num_heavy_atoms: | 22 |
| TPSA: | 130.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD26154
Formula: C8H13ON3
Smiles:
Cn1cc(C2CCOCC2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.21 | Num_heavy_atoms: | 12 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
