Glycoside
GD002286
Name:
OREGONOYL BFormula:
C34H38O13Smiles:
COc1cc(C=CC(=O)O[C@@H]2[C@H](O[C@H](CCc3ccc(O)c(O)c3)CC(=O)CCc3ccc(O)c(O)c3)OC[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 14 |
| MolWt: | 654.67 | Num_heavy_atoms: | 47 |
| TPSA: | 212.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD02197
Formula: C19H22O6
Smiles:
O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
