Glycoside
GD007099
Name:
NoneFormula:
C18H22O10N8PSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)([O-])OC[C@@H]3CC[C@H](n4cnc5c(=O)[nH]cnc54)O3)[C@H](O)[C@H]2O)n1Aglycone:
COP(=O)([O-])OCC1CCC(n2cnc3c(=O)[nH]cnc32)O1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 541.39 | Num_heavy_atoms: | 37 |
| TPSA: | 254.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD05802
Formula: C11H14O6N4P
Smiles:
COP(=O)([O-])OCC1CCC(n2cnc3c(=O)[nH]cnc32)O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 329.23 | Num_heavy_atoms: | 22 |
| TPSA: | 131.39 | NumAromaticRings: | 2 |
