Glycoside
GD114601
Name:
1-hydroxy-3-methoxy-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9H-xanthen-9-oneFormula:
C25H28O14Smiles:
COc1cc(O)c2c(=O)c3cccc(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD45155
Formula: C14H10O5
Smiles:
COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.23 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
