Glycoside
GD119980
Name:
NoneFormula:
C28H31O14ClSmiles:
CC1OC(OCC2OC(Cl)(OC3=Cc4c(O)cc(O)cc4[OH+]C3=C3C=C[C](O)C=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1Sugarmoiety:
CC1OC(OCC2OC(O)(Cl)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 614.98 | Num_heavy_atoms: | 42 |
| TPSA: | 231.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD45378
Formula: C15H13O5
Smiles:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 93.72 | NumAromaticRings: | 1 |
