Glycoside
GD136446
Name:
2-(2H-1,3-benzodioxol-5-yl)-5,6,8-trimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C25H26O13Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)c(OC)c2oc(-c3ccc4c(c3)OCO4)cc(=O)c2c1OCAglycone:
COc1c(O)c(OC)c2oc(-c3ccc4c(c3)OCO4)cc(=O)c2c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 175.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD55151
Formula: C19H16O8
Smiles:
COc1c(O)c(OC)c2oc(-c3ccc4c(c3)OCO4)cc(=O)c2c1OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 96.59 | NumAromaticRings: | 3 |
