Glycoside
GD086340
Name:
NoneFormula:
C10H16O10N4P2SSmiles:
O=P(O)(O)O[PH](O)(O)OC[C@@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)OP(=O)(O)O.S=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.27 | Num_heavy_atoms: | 27 |
| TPSA: | 212.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD25255
Formula: C5H3N4S
Smiles:
S=c1[nH]cnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.17 | Num_heavy_atoms: | 10 |
| TPSA: | 55.14 | 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 |
