Glycoside
GD123440
Name:
2-{4,5-dihydroxy-2-[(3,4,5-trihydroxyoxan-2-yl)methoxy]phenyl}-5,7-dihydroxy-4H-chromen-4-oneFormula:
C21H20O11Smiles:
O=c1cc(-c2cc(O)c(O)cc2OCC2OCC(O)C(O)C2O)oc2cc(O)cc(O)c12Aglycone:
COc1cc(O)c(O)cc1-c1cc(=O)c2c(O)cc(O)cc2o1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD49816
Formula: C16H12O7
Smiles:
COc1cc(O)c(O)cc1-c1cc(=O)c2c(O)cc(O)cc2o1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
