Glycoside
GD105902
Name:
NoneFormula:
C9H21O14N2P3SSmiles:
O=c1ccn([C@H]2O[C@@H](CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O)[C@@H](O)[C@@H]2O)c(=S)[nH]1Aglycone:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O.O=c1cc[nH]c(=S)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.26 | Num_heavy_atoms: | 29 |
| TPSA: | 256.78 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD40420
Formula: CH13O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 278.03 | Num_heavy_atoms: | 14 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
