Glycoside
GD140478
Name:
3-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-2-(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)-5,7-dihydroxy-4H-chromen-4-oneFormula:
C26H28O14Smiles:
CC(O)C1OC(Oc2c(-c3ccc(OC4OC(CO)C(O)C4O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(O)C1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
