Glycoside
GD031023
Name:
NoneFormula:
C18H23O8N3Smiles:
OC1O[C@@H](c2cnnn2C[C@H]2OC(O)[C@H](O)[C@H]2O)[C@H](OCc2ccccc2)[C@H]1OAglycone:
Cn1ccnn1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.4 | Num_heavy_atoms: | 29 |
| TPSA: | 159.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD07362
Formula: C3H5N3
Smiles:
Cn1ccnn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 83.09 | Num_heavy_atoms: | 6 |
| TPSA: | 30.71 | NumAromaticRings: | 1 |
