Glycoside
GD033386
Name:
NoneFormula:
C24H33O9N7PClSSmiles:
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCO[C@@H]1[C@H](O)[C@H](COP(=O)(O)O)O[C@H]1n1cnc2c(Cl)ncnc21Aglycone:
COP(=O)(O)O.Clc1ncnc2c1N=C[N]2.O=C(CCCCC1SCC2NC(=O)NC21)NCCCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 650.05 | Num_heavy_atoms: | 42 |
| TPSA: | 219.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD05203
Formula: C6H2N4Cl
Smiles:
Clc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.55 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD21308
Formula: C13H23O3N3S
Smiles:
O=C(CCCCC1SCC2NC(=O)NC21)NCCCO| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 301.41 | Num_heavy_atoms: | 20 |
| TPSA: | 90.46 | NumAromaticRings: | 0 |
