Glycoside
GD152634
Name:
5-hydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O16Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1O)C(=O)C(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)CO2Aglycone:
COc1c(O)cc2c(c1O)C(=O)C(c1ccc(O)cc1)CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD52027
Formula: C16H14O6
Smiles:
COc1c(O)cc2c(c1O)C(=O)C(c1ccc(O)cc1)CO2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
