Glycoside
GD001623
Name:
NoneFormula:
C22H26O8N2Smiles:
COc1ccc(CCn2c(O)nc3cccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c32)cc1Aglycone:
COc1ccc(CCn2c(O)nc3cccc(O)c32)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.46 | Num_heavy_atoms: | 32 |
| TPSA: | 146.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD01609
Formula: C16H16O3N2
Smiles:
COc1ccc(CCn2c(O)nc3cccc(O)c32)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 284.32 | Num_heavy_atoms: | 21 |
| TPSA: | 67.51 | NumAromaticRings: | 3 |
