Glycoside
GD032546
Name:
NoneFormula:
C19H24O7N2Smiles:
COc1cc2c(cc1OC)-c1c(cnn1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CC2Aglycone:
COc1cc2c(cc1OC)C1=C(C=N[N]1)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.41 | Num_heavy_atoms: | 28 |
| TPSA: | 126.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD08442
Formula: C13H13O2N2
Smiles:
COc1cc2c(cc1OC)C1=C(C=N[N]1)CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.26 | Num_heavy_atoms: | 17 |
| TPSA: | 44.92 | NumAromaticRings: | 1 |
