Glycoside
GD125674
Name:
4'-Hydroxy-5,7-Dimethoxyflavanone 4'-[2-(5-Cinnamoyl)-Beta-D-Apiofuranosyl]GlucosideFormula:
C37H40O15Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(COC(=O)C=Cc4ccccc4)C3O)cc1)CC2=OAglycone:
COC(=O)C=Cc1ccccc1.COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 12 |
| MolWt: | 724.71 | Num_heavy_atoms: | 52 |
| TPSA: | 209.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD47852
Formula: C17H16O5
Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
