Glycoside
GD133178
Name:
1,2-dihydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C20H20O11Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)c3c(O)c(O)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD02811
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
