Glycoside
GD003778
Name:
NoneFormula:
C17H24O6N4Smiles:
Nc1ccn([C@@H]2O[C@H](COC(=O)C3CC4CCN3CC4)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COC(=O)C1CC2CCN1CC2.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.4 | Num_heavy_atoms: | 27 |
| TPSA: | 140.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03386
Formula: C9H15O2N
Smiles:
COC(=O)C1CC2CCN1CC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.22 | Num_heavy_atoms: | 12 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
