Glycoside
GD028180
Name:
NoneFormula:
C15H27O14N2P3SSmiles:
CCCCCCSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CCCCCCSc1cc[nH]c(=O)n1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 14 |
| MolWt: | 584.37 | Num_heavy_atoms: | 35 |
| TPSA: | 244.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD16778
Formula: C10H16ON2S
Smiles:
CCCCCCSc1cc[nH]c(=O)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 212.32 | Num_heavy_atoms: | 14 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
