Glycoside
GD025382
Name:
NoneFormula:
C13H19O6N3Smiles:
O=c1ccn([C@@H]2O[C@H](CN3CCOCC3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CN1CCOCC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.31 | Num_heavy_atoms: | 22 |
| TPSA: | 117.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD05408
Formula: C5H11ON
Smiles:
CN1CCOCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 12.47 | NumAromaticRings: | 0 |
