Glycoside
GD115651
Name:
1-(2,4-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-oneFormula:
C21H24O12Smiles:
O=C(c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1O)C(O)Cc1ccc(O)c(O)c1Aglycone:
O=C(c1ccc(O)c(O)c1O)C(O)Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.41 | Num_heavy_atoms: | 33 |
| TPSA: | 217.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD45788
Formula: C15H14O7
Smiles:
O=C(c1ccc(O)c(O)c1O)C(O)Cc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.27 | Num_heavy_atoms: | 22 |
| TPSA: | 138.45 | NumAromaticRings: | 2 |
