Glycoside
GD019209
Name:
NoneFormula:
C23H30O7N4Smiles:
O=C(COc1ccccc1CNC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)N1CCCCC1Aglycone:
CNCc1ccccc1OCC(=O)N1CCCCC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.51 | Num_heavy_atoms: | 34 |
| TPSA: | 146.12 | NumAromaticRings: | 2 |
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 |
AD13442
Formula: C15H22O2N2
Smiles:
CNCc1ccccc1OCC(=O)N1CCCCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.35 | Num_heavy_atoms: | 19 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
