Glycoside
GD147236
Name:
1,3,6,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C19H18O12Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 438.34 | Num_heavy_atoms: | 31 |
| TPSA: | 210.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD06591
Formula: C13H8O7
Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 276.2 | Num_heavy_atoms: | 20 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
