Glycoside
GD150306
Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 7,8,9-trihydroxy-3,5-dioxo-1H,2H,3H,5H-cyclopenta[c]isochromene-1-carboxylateFormula:
C26H22O17Smiles:
O=C(OC1OC(CO)C(O)C(OC(=O)C2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1O)c1cc(O)c(O)c(O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 606.45 | Num_heavy_atoms: | 43 |
| TPSA: | 291.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| 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 |
AD58383
Formula: C13H8O8
Smiles:
O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(O)c21| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 292.2 | Num_heavy_atoms: | 21 |
| TPSA: | 145.27 | NumAromaticRings: | 2 |
