Glycoside
GD023509
Name:
5-hydroxy-2-(hydroxymethyl)-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4H,8H,11H-oxepino[2,3-h]chromen-4-oneFormula:
C21H24O11Smiles:
O=c1cc(CO)oc2c3c(cc(O)c12)OCC(COC1OC(CO)C(O)C(O)C1O)=CC3Aglycone:
O=c1cc(CO)oc2c3c(cc(O)c12)OCC(CO)=CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 179.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD15801
Formula: C15H14O6
Smiles:
O=c1cc(CO)oc2c3c(cc(O)c12)OCC(CO)=CC3| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
