Glycoside
GD131275
Name:
NoneFormula:
C30H34O10N2Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)C(O)C2O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=OAglycone:
CCc1c(OC)cc(O)c2c1C(=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: | 0.4 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 582.61 | Num_heavy_atoms: | 42 |
| TPSA: | 201.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD53190
Formula: C24H24O5N2
Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.47 | Num_heavy_atoms: | 31 |
| TPSA: | 121.88 | NumAromaticRings: | 2 |
