Glycoside
GD115241
Name:
7-(hydroxymethyl)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthene-1,4,5-triolFormula:
C20H22O10Smiles:
OCc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1c(O)ccc(O)c1O2Aglycone:
OCc1cc(O)c2c(c1)Cc1c(O)ccc(O)c1O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.4 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 180.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD45548
Formula: C14H12O5
Smiles:
OCc1cc(O)c2c(c1)Cc1c(O)ccc(O)c1O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
