Glycoside
GD034084
Name:
NoneFormula:
C25H19O14N2P3Cl2SSmiles:
O=c1[nH]c(=S)c(C2c3ccccc3Oc3ccccc32)cn1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-].O=c1[nH]cc(C2c3ccccc3Oc3ccccc32)c(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 743.3 | Num_heavy_atoms: | 45 |
| TPSA: | 258.62 | 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 |
AD10905
Formula: C17H12O2N2S
Smiles:
O=c1[nH]cc(C2c3ccccc3Oc3ccccc32)c(=S)[nH]1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 308.36 | Num_heavy_atoms: | 22 |
| TPSA: | 57.88 | NumAromaticRings: | 3 |
