Glycoside
GD030867
Name:
ALANGISIDEFormula:
C25H31O10NSmiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4[C@H]3C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 505.52 | Num_heavy_atoms: | 36 |
| TPSA: | 158.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD16618
Formula: C19H21O5N
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 343.38 | Num_heavy_atoms: | 25 |
| TPSA: | 79.23 | NumAromaticRings: | 1 |
