Glycoside
GD119629
Name:
4''-o-galloyl-violutosideFormula:
C26H30O16Smiles:
COC(=O)c1ccccc1OC1OC(COC2OCC(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)c1ccccc1O.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.51 | Num_heavy_atoms: | 42 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD05895
Formula: C8H8O3
Smiles:
COC(=O)c1ccccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
