Glycoside
GD118353
Name:
6-(1,2-dihydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-7-methoxy-2H-chromen-2-oneFormula:
C21H28O11Smiles:
COc1cc2oc(=O)ccc2cc1C(O)C(O)C(C)(C)OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2oc(=O)ccc2cc1C(O)C(O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.44 | Num_heavy_atoms: | 32 |
| TPSA: | 179.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD44940
Formula: C15H18O6
Smiles:
COc1cc2oc(=O)ccc2cc1C(O)C(O)C(C)(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.3 | Num_heavy_atoms: | 21 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
