Glycoside
GD012372
Name:
NoneFormula:
C20H23O6N3Smiles:
O=C(C=C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)NCCCc1ccccc1Aglycone:
C=CC(=O)NCCCc1ccccc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.42 | Num_heavy_atoms: | 29 |
| TPSA: | 133.65 | 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 |
AD09343
Formula: C12H15ON
Smiles:
C=CC(=O)NCCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 189.26 | Num_heavy_atoms: | 14 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
