Glycoside
GD049425
Name:
NoneFormula:
C14H23O5N3Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(CC3CCCC3)nn2)[C@@H]1OAglycone:
Cn1cc(CC2CCCC2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 313.35 | Num_heavy_atoms: | 22 |
| TPSA: | 120.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD26173
Formula: C9H15N3
Smiles:
Cn1cc(CC2CCCC2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.24 | Num_heavy_atoms: | 12 |
| TPSA: | 30.71 | NumAromaticRings: | 1 |
