Glycoside
GD007873
Name:
NoneFormula:
C21H31O19N7P4Smiles:
Cc1cn(C2C[C@H](O)[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 14 |
| MolWt: | 809.4 | Num_heavy_atoms: | 51 |
| TPSA: | 389.75 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD06363
Formula: C12H22O16N2P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O| HBA: | 18 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 574.2 | Num_heavy_atoms: | 34 |
| TPSA: | 270.44 | NumAromaticRings: | 1 |
