Glycoside
GD031911
Name:
NoneFormula:
C20H30O4N2Smiles:
O=C(NCc1ccccc1)[C@@H]1O[C@H](CNC2CCCCCC2)[C@H](O)[C@H]1OAglycone:
CNC1CCCCCC1.O=CNCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.47 | Num_heavy_atoms: | 26 |
| TPSA: | 90.82 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD03748
Formula: C8H9ON
Smiles:
O=CNCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
