Glycoside
GD124496
Name:
NoneFormula:
C21H22O9Smiles:
OCC1OC(Oc2cc(O)c3c(c2)[OH+]C(=C2C=C[C](O)C=C2)C=C3)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)[OH+]C(=C1C=CC(O)C=C1)C=C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 152.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD50295
Formula: C15H13O4
Smiles:
Oc1cc(O)c2c(c1)[OH+]C(=C1C=CC(O)C=C1)C=C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 257.26 | Num_heavy_atoms: | 19 |
| TPSA: | 73.49 | NumAromaticRings: | 1 |
