Glycoside
GD124235
Name:
Pinocembrin 7-O-Neohesperidoside 2'''-O-AcetateFormula:
C29H34O14Smiles:
CC(=O)OC1C(OC2C(Oc3cc(O)c4c(c3)OC(c3ccccc3)CC4=O)OC(CO)C(O)C2O)OC(C)C(O)C1OAglycone:
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC(=O)OC1C(OC2C(O)OC(CO)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD07333
Formula: C15H12O4
Smiles:
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
