Glycoside
GD007485
Name:
NoneFormula:
C9H13O8N2PSSmiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c(=S)[nH]1Aglycone:
COP(=O)(O)O.O=c1cc[nH]c(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.25 | Num_heavy_atoms: | 21 |
| TPSA: | 154.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00306
Formula: C4H4ON2S
Smiles:
O=c1cc[nH]c(=S)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 48.65 | NumAromaticRings: | 1 |
