Glycoside
GD153530
Name:
2'-O-(E)-Coumaroyl SalicortinFormula:
C29H30O12Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=C1CCC=CC1(O)C(=O)OCc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 570.55 | Num_heavy_atoms: | 41 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD07841
Formula: C14H14O5
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
