Glycoside
GD122855
Name:
Firmianone CFormula:
C37H40O14Smiles:
CC(C)=CC(C1=CC(=O)c2ccccc2C1=O)c1cc(OC2OC(CO)C(O)C(O)C2O)c2ccccc2c1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CC(C1=CC(=O)c2ccccc2C1=O)c1cc(O)c2ccccc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 708.71 | Num_heavy_atoms: | 51 |
| TPSA: | 232.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD49548
Formula: C25H20O4
Smiles:
CC(C)=CC(C1=CC(=O)c2ccccc2C1=O)c1cc(O)c2ccccc2c1O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.43 | Num_heavy_atoms: | 29 |
| TPSA: | 74.6 | NumAromaticRings: | 3 |
