Glycoside
GD121996
Name:
3-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triolFormula:
C26H32O16Smiles:
OCC1OC(OC2COC(OC3C(O)c4c(O)cc(O)cc4OC3c3ccc(O)c(O)c3)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2OSugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.54 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 600.53 | Num_heavy_atoms: | 42 |
| TPSA: | 268.68 | 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 |
