Glycoside
GD059041
Name:
NoneFormula:
C9H15O8N2PSSmiles:
O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]1OAglycone:
CO[PH](O)(O)O.O=c1[nH]ccc(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.27 | Num_heavy_atoms: | 21 |
| TPSA: | 157.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD06106
Formula: C4H4ON2S
Smiles:
O=c1[nH]ccc(=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 |
