Glycoside
GD145354
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4a,8a-dihydro-4H-chromen-4-oneFormula:
C26H30O16Smiles:
O=C1C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C12Aglycone:
O=C1C(O)=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.51 | Num_heavy_atoms: | 42 |
| TPSA: | 265.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD49639
Formula: C15H12O7
Smiles:
O=C1C(O)=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
