Glycoside
GD147250
Name:
2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-4,5-dihydroxyoxan-3-yl 4-hydroxybenzoateFormula:
C27H26O11Smiles:
O=C(OC1C(Oc2cc(O)cc3c2CCC(c2ccc(O)c(O)c2)O3)OCC(O)C1O)c1ccc(O)cc1Aglycone:
O=C(O)c1ccc(O)cc1.Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 526.49 | Num_heavy_atoms: | 38 |
| TPSA: | 175.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD56954
Formula: C15H14O5
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
