Glycoside
GD004027
Name:
NoneFormula:
C20H27O6N3Smiles:
Nc1ccn([C@@H]2O[C@H](COC(=O)C34CC5CC(CC(C5)C3)C4)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COC(=O)C12CC3CC(CC(C3)C1)C2.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.45 | Num_heavy_atoms: | 29 |
| TPSA: | 136.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03557
Formula: C12H18O2
Smiles:
COC(=O)C12CC3CC(CC(C3)C1)C2| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.27 | Num_heavy_atoms: | 14 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
