Glycoside
GD035937
Name:
NoneFormula:
C17H21O7N5Smiles:
COc1cc2c(cc1CNC[C@@H]1O[C@H](n3cnc(C(N)=O)n3)[C@H](O)[C@H]1O)OCO2Aglycone:
CNCc1cc2c(cc1OC)OCO2.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.38 | Num_heavy_atoms: | 29 |
| TPSA: | 163.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD17667
Formula: C10H13O3N
Smiles:
CNCc1cc2c(cc1OC)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 195.22 | Num_heavy_atoms: | 14 |
| TPSA: | 39.72 | NumAromaticRings: | 1 |
