Glycoside
GD116665
Name:
6-[2,6-dihydroxy-4-(hydroxymethyl)phenoxy]-4,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C27H26O17Smiles:
O=C(OCC1OC(Oc2c(O)cc(CO)cc2O)C(O)C(O)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.OCc1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.26 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.49 | Num_heavy_atoms: | 44 |
| TPSA: | 293.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
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 |
AD46373
Formula: C7H8O4
Smiles:
OCc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.14 | Num_heavy_atoms: | 11 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
