Glycoside
GD140596
Name:
7-hydroxy-2,3,4,5-tetramethoxy-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9H-xanthen-9-oneFormula:
C28H34O17Smiles:
COc1c(OC)c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c2c(=O)c3cc(O)cc(OC)c3oc2c1OCAglycone:
COc1c(OC)c(O)c2c(=O)c3cc(O)cc(OC)c3oc2c1OCSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 642.56 | Num_heavy_atoms: | 45 |
| TPSA: | 245.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD56687
Formula: C17H16O8
Smiles:
COc1c(OC)c(O)c2c(=O)c3cc(O)cc(OC)c3oc2c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.31 | Num_heavy_atoms: | 25 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
