Glycoside
GD031956
Name:
NoneFormula:
C22H24O6N2Smiles:
COc1ccc2c3c(ccc2c1)-c1c(cnn1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CC3Aglycone:
COc1ccc2c3c(ccc2c1)C1=C(C=N[N]1)CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.44 | Num_heavy_atoms: | 30 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD20233
Formula: C16H13ON2
Smiles:
COc1ccc2c3c(ccc2c1)C1=C(C=N[N]1)CC3| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 249.29 | Num_heavy_atoms: | 19 |
| TPSA: | 35.69 | NumAromaticRings: | 2 |
