Glycoside
GD134217
Name:
NoneFormula:
C37H40O18N2Smiles:
CCC1=CC(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C3O)=CNC1NAglycone:
CCC1=CC(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1NSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.43 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 800.72 | Num_heavy_atoms: | 57 |
| TPSA: | 341.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD54298
Formula: C31H32O12N2
Smiles:
CCC1=CC(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1N| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.35 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 624.6 | Num_heavy_atoms: | 45 |
| TPSA: | 245.4 | NumAromaticRings: | 3 |
