Glycoside
GD014890
Name:
NoneFormula:
C25H23O14N2P3Cl2SSmiles:
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: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 747.33 | Num_heavy_atoms: | 45 |
| TPSA: | 247.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD00072
Formula: C4H7O9P3Cl2
Smiles:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.9 | Num_heavy_atoms: | 16 |
| TPSA: | 150.59 | 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 |
