Glycoside
GD066391
Name:
NoneFormula:
C15H21O7N3Smiles:
O=C(NCc1cc(OCC2CC2)ncn1)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
NCc1cc(OCC2CC2)ncn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 355.35 | Num_heavy_atoms: | 25 |
| TPSA: | 162.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD31804
Formula: C9H13ON3
Smiles:
NCc1cc(OCC2CC2)ncn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
