Glycoside
GD030135
Name:
NoneFormula:
C20H23O7N8ClSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](CNc3c(NCCCNC(=O)CCl)c(=O)c3=O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNc1c(NCCCNC(=O)CCl)c(=O)c1=O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 510.9 | Num_heavy_atoms: | 35 |
| TPSA: | 226.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD19518
Formula: C11H14O3N3Cl
Smiles:
CNc1c(NCCCNC(=O)CCl)c(=O)c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 259.69 | Num_heavy_atoms: | 17 |
| TPSA: | 87.3 | NumAromaticRings: | 1 |
