Glycoside
GD029193
Name:
NoneFormula:
C18H22O7N2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1CCc1ccccc1Aglycone:
O=c1[nH]cc(CCc2ccccc2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 145.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD19020
Formula: C12H12O2N2
Smiles:
O=c1[nH]cc(CCc2ccccc2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
