Glycoside
GD012782
Name:
NoneFormula:
C13H22O10N6P2Smiles:
CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CCCNC1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.3 | Num_heavy_atoms: | 31 |
| TPSA: | 244.63 | 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 |
AD09601
Formula: C8H11N6
Smiles:
CCCNC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.22 | Num_heavy_atoms: | 14 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
