Glycoside
GD006005
Name:
NoneFormula:
C12H17O7N5PSSmiles:
CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
CCSC1=Nc2c(N)ncnc2[N]1.COP(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.34 | Num_heavy_atoms: | 26 |
| TPSA: | 188.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD03746
Formula: C7H8N5S
Smiles:
CCSC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.24 | Num_heavy_atoms: | 13 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
