Glycoside
GD156669
Name:
1,3,8-trihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C19H18O11Smiles:
O=c1c2c(O)cc(O)cc2oc2c(OC3OC(CO)C(O)C(O)C3O)ccc(O)c12Aglycone:
O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.34 | Num_heavy_atoms: | 30 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD16927
Formula: C13H8O6
Smiles:
O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.2 | Num_heavy_atoms: | 19 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
