Glycoside
GD129805
Name:
5,7-dihydroxy-2-(1-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-2,5-dien-1-yl)-4H-chromen-4-oneFormula:
C21H22O11Smiles:
O=c1cc(C2(O)C=CC(OC3OC(CO)C(O)C(O)C3O)C=C2)oc2cc(O)cc(O)c12Aglycone:
O=c1cc(C2(O)C=CC(O)C=C2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD52586
Formula: C15H12O6
Smiles:
O=c1cc(C2(O)C=CC(O)C=C2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 2 |
