Glycoside
GD030446
Name:
NoneFormula:
C16H21O7N5PClSmiles:
O=P(O)(O)COC[C@@H]1O[C@H](n2cnc3c(N4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COCP(=O)(O)O.Clc1nc2c(c(N3CCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.79 | Num_heavy_atoms: | 29 |
| TPSA: | 163.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD19703
Formula: C10H9N5Cl
Smiles:
Clc1nc2c(c(N3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.66 | Num_heavy_atoms: | 15 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
