Glycoside
GD131197
Name:
AlmeideinFormula:
C26H28O13Smiles:
COc1c(C2OCC(O)C(O)C2O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C1OCC(O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 219.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD05008
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
