Glycoside
GD122098
Name:
2-(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}prop-1-en-1-yl)-3-(1-hydroxyethenyl)-6-(3,4,5-trihydroxyphenyl)-4H-pyran-4-oneFormula:
C28H34O17Smiles:
C=C(O)c1c(C=C(C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)oc(-c2cc(O)c(O)c(O)c2)cc1=OAglycone:
C=C(O)c1c(C=C(C)O)oc(-c2cc(O)c(O)c(O)c2)cc1=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 642.56 | Num_heavy_atoms: | 45 |
| TPSA: | 289.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD49184
Formula: C16H14O7
Smiles:
C=C(O)c1c(C=C(C)O)oc(-c2cc(O)c(O)c(O)c2)cc1=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 131.36 | NumAromaticRings: | 2 |
