Glycoside
GD033214
Name:
NoneFormula:
C15H20O9N5P2ClSmiles:
O=P(O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(NC4CC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)O.Clc1nc2c(c(NC3CC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 499.74 | Num_heavy_atoms: | 31 |
| TPSA: | 209.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD06816
Formula: C9H7N5Cl
Smiles:
Clc1nc2c(c(NC3CC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.63 | Num_heavy_atoms: | 14 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
