Glycoside
GD022965
Name:
NoneFormula:
C24H26O7N2Smiles:
CC(=CCc1cccc2nc3cccc(C(=O)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)c3nc12)COAglycone:
CC(=CCc1cccc2nc3cccc(C(=O)O)c3nc12)COSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.48 | Num_heavy_atoms: | 33 |
| TPSA: | 142.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD15500
Formula: C18H16O3N2
Smiles:
CC(=CCc1cccc2nc3cccc(C(=O)O)c3nc12)CO| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.34 | Num_heavy_atoms: | 23 |
| TPSA: | 83.31 | NumAromaticRings: | 3 |
