Glycoside
GD029172
Name:
NoneFormula:
C25H40O10N5PS2Smiles:
CO[C@@H]1[C@H](O)[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]1n1cnc2c(O)nc(N)nc21Aglycone:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 665.73 | Num_heavy_atoms: | 43 |
| TPSA: | 207.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD01206
Formula: C15H29O6PS2
Smiles:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.87 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 400.5 | Num_heavy_atoms: | 24 |
| TPSA: | 78.9 | NumAromaticRings: | 0 |
