Glycoside
GD138889
Name:
2,3,5-trimethoxy-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C28H34O16Smiles:
COc1cc2oc3c(OC)cccc3c(=O)c2c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c1OCAglycone:
COc1cc2oc3c(OC)cccc3c(=O)c2c(O)c1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 236.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD56037
Formula: C16H14O6
Smiles:
COc1cc2oc3c(OC)cccc3c(=O)c2c(O)c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
