Glycoside
GD146779
Name:
NoneFormula:
C29H32O11N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1CO)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1CO)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.58 | Num_heavy_atoms: | 42 |
| TPSA: | 221.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD58833
Formula: C23H22O6N2
Smiles:
COc1cc(O)c2c(c1CO)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.44 | Num_heavy_atoms: | 31 |
| TPSA: | 142.11 | NumAromaticRings: | 2 |
