Glycoside
GD025962
Name:
NoneFormula:
C19H27O20N7P4Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@H]2COP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC1CC(n2ccc(=O)[nH]c2=O)OC1COP(=O)(O)O.Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 14 |
| MolWt: | 797.35 | Num_heavy_atoms: | 50 |
| TPSA: | 398.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD17154
Formula: C10H17O14N2P3
Smiles:
COP(=O)(O)OP(=O)(O)OC1CC(n2ccc(=O)[nH]c2=O)OC1COP(=O)(O)O| HBA: | 16 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.17 | Num_heavy_atoms: | 29 |
| TPSA: | 233.14 | NumAromaticRings: | 1 |
