Glycoside
GD015518
Name:
NoneFormula:
C21H24O8N4Smiles:
COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)CC1Aglycone:
COc1ccccc1C(=O)N1CCN(C=O)CC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.44 | Num_heavy_atoms: | 33 |
| TPSA: | 154.4 | 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 |
AD11264
Formula: C13H16O3N2
Smiles:
COc1ccccc1C(=O)N1CCN(C=O)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 49.85 | NumAromaticRings: | 1 |
