Glycoside
GD152544
Name:
NoneFormula:
C36H37O13N2Smiles:
CCc1cc(O)cc(COc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc3c(c2O)C(O)=CC(c2ccc(OCCC4=NC(N)=C[CH+]4)cc2)O3)c1Aglycone:
CCc1cc(O)cc(COc2c(O)cc3c(c2O)C(O)=CC(c2ccc(OCCC4=NC(N)=C[CH+]4)cc2)O3)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 705.69 | Num_heavy_atoms: | 51 |
| TPSA: | 243.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD47832
Formula: C30H29O7N2
Smiles:
CCc1cc(O)cc(COc2c(O)cc3c(c2O)C(O)=CC(c2ccc(OCCC4=NC(N)=C[CH+]4)cc2)O3)c1| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 529.57 | Num_heavy_atoms: | 39 |
| TPSA: | 146.99 | NumAromaticRings: | 3 |
