Glycoside
GD009043
Name:
ALVARADOIN NFormula:
C22H22O10Smiles:
CC(=O)O[C@@H]1O[C@H]([C@]2(O)c3cccc(O)c3C(=O)c3c(O)cc(C)cc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=OSugarmoiety:
CC(=O)OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD02653
Formula: C15H12O4
Smiles:
Cc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
