Glycoside
GD004944
Name:
NoneFormula:
C12H19O10N5P2SSmiles:
CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CCSC1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 487.32 | Num_heavy_atoms: | 30 |
| TPSA: | 232.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | 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 |
