Glycoside
GD156849
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-8-hydroxy-5-methoxy-2H-chromen-2-oneFormula:
C22H28O15Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(O)c2oc(=O)ccc12Aglycone:
COc1cc(O)c(O)c2oc(=O)ccc12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.45 | Num_heavy_atoms: | 37 |
| TPSA: | 238.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD47287
Formula: C10H8O5
Smiles:
COc1cc(O)c(O)c2oc(=O)ccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.17 | Num_heavy_atoms: | 15 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
