Glycoside
GD143329
Name:
Pyrolaside BFormula:
C39H50O21Smiles:
Cc1cc(OC2OC(CO)C(O)C(O)C2O)cc(Oc2c(C)cc(OC3OC(CO)C(O)C(O)C3O)cc2-c2cc(OC3OC(CO)C(O)C(O)C3O)cc(C)c2O)c1OAglycone:
Cc1cc(O)cc(Oc2c(C)cc(O)cc2-c2cc(O)cc(C)c2O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.54 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 854.81 | Num_heavy_atoms: | 60 |
| TPSA: | 347.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD57657
Formula: C21H20O6
Smiles:
Cc1cc(O)cc(Oc2c(C)cc(O)cc2-c2cc(O)cc(C)c2O)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 110.38 | NumAromaticRings: | 3 |
