Glycoside
GD064974
Name:
NoneFormula:
C16H22O7N2Smiles:
O=C(N[C@]12C[C@](C(=O)N3CC=CC3)(C1)C2)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OAglycone:
O=CNC12CC(C(=O)N3CC=CC3)(C1)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 139.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD31256
Formula: C11H14O2N2
Smiles:
O=CNC12CC(C(=O)N3CC=CC3)(C1)C2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.24 | Num_heavy_atoms: | 15 |
| TPSA: | 49.41 | NumAromaticRings: | 0 |
