Glycoside
GD152850
Name:
NoneFormula:
C38H43O20Smiles:
COc1cc(C=CC(=O)OC2C(C[OH2+])OC(OCC3OC(OC4=Cc5c(O)cc(O)cc5OC4c4ccc(O)c(O)c4)C(O)C(O)C3O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C=CC(=O)O)cc(OC)c1O.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(COC2OC(C[OH2+])C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.39 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 12 |
| MolWt: | 819.74 | Num_heavy_atoms: | 58 |
| TPSA: | 316.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
