Glycoside
GD157484
Name:
4,5-dihydroxy-6-{[(4-hydroxy-6-methyl-3,5-diphenoxyoxan-2-yl)oxy]methyl}-3-phenoxyoxan-2-yl 3,4,5-trihydroxybenzoateFormula:
C37H38O14Smiles:
CC1OC(OCC2OC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc3ccccc3)C(O)C2O)C(Oc2ccccc2)C(O)C1Oc1ccccc1Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 706.7 | Num_heavy_atoms: | 51 |
| TPSA: | 203.06 | NumAromaticRings: | 4 |
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 |
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
