Glycoside
GD137669
Name:
NoneFormula:
C37H37O18N2Smiles:
CCc1cc(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:
CCc1cc(C2CCC3(Oc4cc5oc(-c6ccc([O-])c(O)c6)cc(=[OH+])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: | 11 | FractionCSP3: | 0.41 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 797.7 | Num_heavy_atoms: | 57 |
| TPSA: | 348.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD55609
Formula: C31H30O12N2
Smiles:
CCc1cc(C2CCC3(Oc4cc5oc(-c6ccc([O-])c(O)c6)cc(=[OH+])c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)cnc1N| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 622.58 | Num_heavy_atoms: | 45 |
| TPSA: | 253.42 | NumAromaticRings: | 4 |
