Glycoside
GD122397
Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-(2,3,4-trihydroxybenzoyloxy)oxan-4-yl 11,12,13-trihydroxy-5,8-dioxo-7-oxatricyclo[7.4.0.0²,â¶]trideca-1(13),9,11-triene-3-carboxylateFormula:
C26H24O17Smiles:
O=C(OC1OC(CO)C(O)C(OC(=O)C2CC(=O)C3OC(=O)c4cc(O)c(O)c(O)c4C23)C1O)c1ccc(O)c(O)c1OAglycone:
O=C(O)c1ccc(O)c(O)c1O.O=C1OC2C(=O)CC(C(=O)O)C2c2c1cc(O)c(O)c2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 608.46 | Num_heavy_atoms: | 43 |
| TPSA: | 287.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD14557
Formula: C7H6O5
Smiles:
O=C(O)c1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD49318
Formula: C13H10O8
Smiles:
O=C1OC2C(=O)CC(C(=O)O)C2c2c1cc(O)c(O)c2O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 294.22 | Num_heavy_atoms: | 21 |
| TPSA: | 141.36 | NumAromaticRings: | 1 |
