Glycoside
GD024905
Name:
NoneFormula:
C27H24O9N4Smiles:
CNN1C(=O)c2c(c3c4cccc(O)c4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4c(O)cccc4c23)C1=OAglycone:
CNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.51 | Num_heavy_atoms: | 40 |
| TPSA: | 200.74 | NumAromaticRings: | 5 |
Unique Aglycone
AD16578
Formula: C21H14O4N4
Smiles:
CNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.05 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.37 | Num_heavy_atoms: | 29 |
| TPSA: | 121.45 | NumAromaticRings: | 5 |
