Glycoside
GD061017
Name:
NoneFormula:
C15H25O5N3Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(CC3CCCCC3)nn2)[C@@H]1OAglycone:
Cn1cc(CC2CCCCC2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 327.38 | Num_heavy_atoms: | 23 |
| TPSA: | 120.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD29986
Formula: C10H17N3
Smiles:
Cn1cc(CC2CCCCC2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.27 | Num_heavy_atoms: | 13 |
| TPSA: | 30.71 | NumAromaticRings: | 1 |
