Glycoside
GD023534
Name:
NoneFormula:
C17H18O7N4Smiles:
Nc1ccn([C@@H]2O[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=CNCc1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.35 | Num_heavy_atoms: | 28 |
| TPSA: | 158.16 | NumAromaticRings: | 2 |
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 |
AD06808
Formula: C9H9O3N
Smiles:
O=CNCc1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
