Glycoside
GD095185
Name:
NoneFormula:
C22H30O8N2Smiles:
COc1ccc(CN2CC[C@]3(CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C3)C2=O)cc1Aglycone:
COc1ccc(CN2CCC3(CCCNC3)C2=O)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.49 | Num_heavy_atoms: | 32 |
| TPSA: | 147.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD40634
Formula: C16H22O2N2
Smiles:
COc1ccc(CN2CCC3(CCCNC3)C2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.36 | Num_heavy_atoms: | 20 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
