Glycoside
GD031757
Name:
NoneFormula:
C27H25O15N2P3Cl2SSmiles:
COc1ccc(C(c2ccc(OC)cc2)c2cn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@H](O)[C@H]3O)c(=O)[nH]c2=S)cc1Aglycone:
COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-].COc1ccc(C(c2ccc(OC)cc2)c2c[nH]c(=O)[nH]c2=S)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 13 |
| MolWt: | 789.37 | Num_heavy_atoms: | 48 |
| TPSA: | 267.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD05170
Formula: C4H3O9P3Cl2
Smiles:
COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-]| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.87 | Num_heavy_atoms: | 16 |
| TPSA: | 161.91 | NumAromaticRings: | 0 |
AD08922
Formula: C19H18O3N2S
Smiles:
COc1ccc(C(c2ccc(OC)cc2)c2c[nH]c(=O)[nH]c2=S)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.16 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.43 | Num_heavy_atoms: | 25 |
| TPSA: | 67.11 | NumAromaticRings: | 3 |
