Glycoside
GD027040
Name:
NoneFormula:
C19H27O15N8P2Smiles:
C[C@@H]1O[C@H](n2cc(COP(=O)(O)OP(=O)([O-])OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OP(=O)(O)OCC1=C[N]N=N1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.63 |
| AlogP: | -4.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 669.41 | Num_heavy_atoms: | 44 |
| TPSA: | 345.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD15408
Formula: C4H7O7N3P2
Smiles:
COP(=O)([O-])OP(=O)(O)OCC1=C[N]N=N1| HBA: | 10 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 271.06 | Num_heavy_atoms: | 16 |
| TPSA: | 143.94 | NumAromaticRings: | 0 |
