Glycoside
GD036580
Name:
NoneFormula:
C20H21O8N6PCl2SSmiles:
O=P(O)(O)CS(=O)(=O)NC[C@@H]1O[C@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)CP(=O)(O)O.Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 583.35 | Num_heavy_atoms: | 36 |
| TPSA: | 209.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD01715
Formula: C14H8N5Cl2
Smiles:
Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.14 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD23060
Formula: C2H8O5NPS
Smiles:
CNS(=O)(=O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.13 | Num_heavy_atoms: | 10 |
| TPSA: | 103.7 | NumAromaticRings: | 0 |
