Glycoside
GD010143
Name:
NoneFormula:
C19H28O4N2Smiles:
O=C(Nc1ccccc1)[C@@H]1O[C@H](CNC2CCCCCC2)[C@H](O)[C@H]1OAglycone:
CNC1CCCCCC1.O=CNc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 90.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD01120
Formula: C7H7ON
Smiles:
O=CNc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD03159
Formula: C8H17N
Smiles:
CNC1CCCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.23 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
