Glycoside
GD136205
Name:
6-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-7-methoxy-2H-chromen-2-oneFormula:
C21H28O10Smiles:
COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD53012
Formula: C15H18O5
Smiles:
COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
