Glycoside
GD155468
Name:
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 4-hydroxy-3-methoxybenzoateFormula:
C29H30O14Smiles:
COc1cc(C(=O)OC2C(OC3Cc4c(O)cc(O)cc4OC3c3ccc(O)c(O)c3)OC(CO)C(O)C2O)ccc1OAglycone:
COc1cc(C(=O)O)ccc1O.Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.34 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 225.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD04299
Formula: C15H14O6
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
