Glycoside
GD031096
Name:
HEDYOTOSIDE CFormula:
C29H36O15Smiles:
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(COC(=O)C=Cc4ccc(O)cc4)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(O)cc(OC)c1OCSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 212.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
