Glycoside
GD137705
Name:
NoneFormula:
C37H42O19N2Smiles:
CCC1=CC(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)=CNC1NAglycone:
CCC1=CC(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)=CNC1NSugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.43 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 818.74 | Num_heavy_atoms: | 58 |
| TPSA: | 361.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD55623
Formula: C25H26O7N2
Smiles:
CCC1=CC(Cc2c(O)cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)=CNC1N| HBA: | 9 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.49 | Num_heavy_atoms: | 34 |
| TPSA: | 169.41 | NumAromaticRings: | 3 |
