Glycoside
GD142638
Name:
3-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O17Smiles:
COc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(OC1C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C1O)C2=OAglycone:
COc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.54 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.56 | Num_heavy_atoms: | 45 |
| TPSA: | 274.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD57399
Formula: C16H14O7
Smiles:
COc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
