Glycoside
GD017357
Name:
ROBUSTASIDE EFormula:
C21H24O11Smiles:
O=C(C=CC1(O)C=CC(O)CC1=O)OC[C@@H]1O[C@H](Oc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=CC1(O)C=CC(O)CC1=O.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
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 |
AD12394
Formula: C10H12O5
Smiles:
COC(=O)C=CC1(O)C=CC(O)CC1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
