Glycoside
GD001158
Name:
NoneFormula:
C23H38O10N3PS2Smiles:
CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 12 |
| MolWt: | 611.68 | Num_heavy_atoms: | 39 |
| TPSA: | 189.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | 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 |
