Glycoside
GD127300
Name:
NoneFormula:
C25H33O9N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCCN3C=C[NH2+]C3)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCCN3C=C[NH2+]C3)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 505.54 | Num_heavy_atoms: | 36 |
| TPSA: | 165.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD51547
Formula: C19H23O4N2
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCCN3C=C[NH2+]C3)c(C)cc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 343.4 | Num_heavy_atoms: | 25 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
