Glycoside
GD139026
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4a,8a-dihydro-4H-chromen-3-yl 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl propanedioateFormula:
C24H24O15Smiles:
O=C(CC(=O)OC1OC(CO)C(O)C(O)C1O)OC1=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C2C1=OAglycone:
O=C(O)CC(=O)OC1=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.44 | Num_heavy_atoms: | 39 |
| TPSA: | 249.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD56075
Formula: C18H14O10
Smiles:
O=C(O)CC(=O)OC1=C(c2ccc(O)c(O)c2)OC2C=C(O)C=C(O)C2C1=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.3 | Num_heavy_atoms: | 28 |
| TPSA: | 170.82 | NumAromaticRings: | 1 |
