Glycoside
GD157007
Name:
NoneFormula:
C28H30O11N2Smiles:
COc1cc(OC2OC(O)(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:
OCC1(O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.55 | Num_heavy_atoms: | 41 |
| TPSA: | 221.26 | 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 |
