Glycoside
GD093515
Name:
NoneFormula:
C10H17O10N5P2SSmiles:
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1Aglycone:
CO[PH](O)(O)OP(=O)(O)O.Nc1nc2c(c(=S)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.29 | Num_heavy_atoms: | 28 |
| TPSA: | 238.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD03762
Formula: C5H4N5S
Smiles:
Nc1nc2c(c(=S)[nH]1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.19 | Num_heavy_atoms: | 11 |
| TPSA: | 81.16 | NumAromaticRings: | 1 |
AD36266
Formula: CH8O7P2
Smiles:
CO[PH](O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
