Glycoside
GD145431
Name:
MolludistinFormula:
C21H20O9Smiles:
COc1cc(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)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 149.82 | 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 |
