Glycoside
GD132324
Name:
methyl 3-{2-hydroxy-4-[(2-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-8-yl)oxy]phenyl}propanoateFormula:
C25H26O12Smiles:
COC(=O)CCc1ccc(Oc2c(OC3OC(CO)C(O)C(O)C3O)ccc3ccc(=O)oc23)cc1OAglycone:
COC(=O)CCc1ccc(Oc2c(O)ccc3ccc(=O)oc23)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD53570
Formula: C19H16O7
Smiles:
COC(=O)CCc1ccc(Oc2c(O)ccc3ccc(=O)oc23)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.16 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.33 | Num_heavy_atoms: | 26 |
| TPSA: | 106.2 | NumAromaticRings: | 3 |
