Glycoside
GD000676
Name:
ALVARADOIN EFormula:
C22H22O9Smiles:
CC(=O)O[C@@H]1O[C@H]([C@@H]2c3cccc(O)c3C(=O)c3c(O)cc(C)cc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=OSugarmoiety:
CC(=O)OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00259
Formula: C15H12O3
Smiles:
Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 240.26 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
