Glycoside
GD150621
Name:
NoneFormula:
C41H45O18Smiles:
C=Cc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(COC(=O)C3(O)CC(O)C(O)C(OC(=O)C=Cc4ccc(O)c(O)c4)C3)C(O)C(O)C2O)cc(OC)c1CAglycone:
C=Cc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1C.COC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 825.79 | Num_heavy_atoms: | 59 |
| TPSA: | 294.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD03131
Formula: C17H20O9
Smiles:
COC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
AD54232
Formula: C19H19O5
Smiles:
C=Cc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1C| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.36 | Num_heavy_atoms: | 24 |
| TPSA: | 81.82 | NumAromaticRings: | 2 |
