Glycoside
GD157811
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triolFormula:
C21H24O11Smiles:
OCC1OC(OC2C(O)c3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)CC(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2OSugarmoiety:
OCC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 189.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD49132
Formula: C15H14O7
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 306.27 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
