Glycoside
GD125097
Name:
2-[4,5-dihydroxy-2-(hydroxymethyl)-9H-xanthen-9-yl]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H22O9Smiles:
OCc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cccc(O)c1O2Aglycone:
OCc1cc(O)c2c(c1)Cc1cccc(O)c1O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD50588
Formula: C14H12O4
Smiles:
OCc1cc(O)c2c(c1)Cc1cccc(O)c1O2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
