Glycoside
GD138873
Name:
NoneFormula:
C27H32O14Smiles:
OCC1OC(C2(Oc3cc(O)c4c(c3)[OH+]C(=C3C=C[C](O)C=C3)C=C4)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)[OH+]C(=C1C=CC(O)C=C1)C=C2Sugarmoiety:
OCC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 242.79 | 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 |
