Glycoside
GD134210
Name:
2-(hydroxymethyl)-6-[(5,7,10-trihydroxy-9,10-dihydrophenanthren-4-yl)oxy]oxane-3,4,5-triolFormula:
C20H22O9Smiles:
OCC1OC(Oc2cccc3c2-c2c(O)cc(O)cc2CC3O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)CC(O)c1cccc(O)c1-2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD54296
Formula: C14H12O4
Smiles:
Oc1cc(O)c2c(c1)CC(O)c1cccc(O)c1-2| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
