Glycoside
GD125046
Name:
2-{2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2,4,6-trihydroxybenzoateFormula:
C27H26O13Smiles:
O=C(OC1C(Oc2c(O)cc(O)cc2C=Cc2ccc(O)cc2)OC(CO)C(O)C1O)c1c(O)cc(O)cc1OAglycone:
O=C(O)c1c(O)cc(O)cc1O.Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.22 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.49 | Num_heavy_atoms: | 40 |
| TPSA: | 226.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD03488
Formula: C14H12O4
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
AD46596
Formula: C7H6O5
Smiles:
O=C(O)c1c(O)cc(O)cc1O| 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 |
