Glycoside
GD154689
Name:
NoneFormula:
C28H30O10N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 554.55 | Num_heavy_atoms: | 40 |
| TPSA: | 201.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD53886
Formula: C22H20O5N2
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.41 | Num_heavy_atoms: | 29 |
| TPSA: | 121.88 | NumAromaticRings: | 2 |
