Glycoside
GD123698
Name:
NoneFormula:
C20H28O5N2Smiles:
CC1CCN(C(=O)CC2OC(CN=C(O)c3ccccc3)C(O)C2O)CC1Aglycone:
CC(=O)N1CCC(C)CC1.CN=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 102.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD22961
Formula: C8H15ON
Smiles:
CC(=O)N1CCC(C)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD47599
Formula: C8H9ON
Smiles:
CN=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
