Glycoside
GD136685
Name:
5-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxybenzoic acidFormula:
C18H24O13Smiles:
O=C(O)c1cc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)ccc1OAglycone:
O=C(O)c1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.38 | Num_heavy_atoms: | 31 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD05966
Formula: C7H6O4
Smiles:
O=C(O)c1cc(O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
