Glycoside
GD073102
Name:
NoneFormula:
C17H24O8N2Smiles:
COc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc1N1CCOCC1Aglycone:
COc1cc(N)ccc1N1CCOCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 384.39 | Num_heavy_atoms: | 27 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD33959
Formula: C11H16O2N2
Smiles:
COc1cc(N)ccc1N1CCOCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.26 | Num_heavy_atoms: | 15 |
| TPSA: | 47.72 | NumAromaticRings: | 1 |
