Glycoside
GD150617
Name:
4-methoxy-6-[2-methyl-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-2H-pyran-2-oneFormula:
C25H32O15Smiles:
COc1cc(-c2c(C)cc(OC3OC(CO)C(O)C(O)C3O)cc2OC2OC(CO)C(O)C(O)C2O)oc(=O)c1Aglycone:
COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.52 | Num_heavy_atoms: | 40 |
| TPSA: | 238.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD10716
Formula: C13H12O5
Smiles:
COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
