Glycoside
GD023839
Name:
NoneFormula:
C20H24O6N4Smiles:
CN(C)c1ccc(CNC(=O)C=C[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1Aglycone:
C=CC(=O)NCc1ccc(N(C)C)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.43 | Num_heavy_atoms: | 30 |
| TPSA: | 136.89 | 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 |
AD07865
Formula: C12H16ON2
Smiles:
C=CC(=O)NCc1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
