Glycoside
GD012819
Name:
ROBUSTASIDE FFormula:
C32H32O13Smiles:
COc1ccc(O)c(C=CC(=O)OC[C@@H]2O[C@H](Oc3ccc(O)cc3)[C@H](OC(=O)C=Cc3cc(OC)ccc3O)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)C=Cc1cc(OC)ccc1O.COc1ccc(O)c(C=CC(=O)O)c1.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 11 |
| MolWt: | 624.6 | Num_heavy_atoms: | 45 |
| TPSA: | 190.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD09630
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1cc(OC)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD09631
Formula: C10H10O4
Smiles:
COc1ccc(O)c(C=CC(=O)O)c1| 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 |
