Glycoside
GD100030
Name:
NoneFormula:
C24H36O5N4Smiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)[C@H](O)[C@@H]1O)NC1CCCCC1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CNC(=O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.58 | Num_heavy_atoms: | 33 |
| TPSA: | 114.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD21283
Formula: C12H16ON2
Smiles:
CC(=O)N1CCN(c2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD23111
Formula: C8H16ON2
Smiles:
CNC(=O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.23 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
