Glycoside
GD065014
Name:
NoneFormula:
C16H22O7N2Smiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C[C@H]2C(=O)N2CC=CC2)C1Aglycone:
O=CN1CC2(CC2C(=O)N2CC=CC2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD31261
Formula: C11H14O2N2
Smiles:
O=CN1CC2(CC2C(=O)N2CC=CC2)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.24 | Num_heavy_atoms: | 15 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
