Glycoside
GD072727
Name:
NoneFormula:
C18H27O7N3Smiles:
Cn1cc([C@@H]2COC3(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC3)C2)cn1Aglycone:
Cn1cc(C2COC3(CCNCC3)C2)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 397.43 | Num_heavy_atoms: | 28 |
| TPSA: | 145.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD33864
Formula: C12H19ON3
Smiles:
Cn1cc(C2COC3(CCNCC3)C2)cn1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 221.3 | Num_heavy_atoms: | 16 |
| TPSA: | 39.08 | NumAromaticRings: | 1 |
