Glycoside
GD019195
Name:
1,8-dihydroxy-4,5-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C21H22O12Smiles:
COc1ccc(O)c2c(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(OC)c3oc12Aglycone:
COc1ccc(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 188.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD09805
Formula: C15H12O7
Smiles:
COc1ccc(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
