Glycoside
GD089194
Name:
N-[(3,4-dihydroxy-5-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}oxolan-2-yl)methyl]furan-2-carboxamideFormula:
C21H26O6N4Smiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccn3)CC2)[C@H](O)[C@@H]1O)c1ccco1Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CNC(=O)c1ccco1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.46 | Num_heavy_atoms: | 31 |
| TPSA: | 128.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD18098
Formula: C6H7O2N
Smiles:
CNC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.24 | NumAromaticRings: | 1 |
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
