Glycoside
GD126904
Name:
NoneFormula:
C27H32O14Smiles:
OCC1OC(OC2C(OC3=Cc4ccc(O)cc4[OH+]C3=C3C=C[C](O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2ccc(O)cc2[OH+]C1=C1C=CC(O)C=C1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 231.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD47670
Formula: C15H13O4
Smiles:
OC1=Cc2ccc(O)cc2[OH+]C1=C1C=CC(O)C=C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 257.26 | Num_heavy_atoms: | 19 |
| TPSA: | 73.49 | NumAromaticRings: | 1 |
