Glycoside
GD016918
Name:
NoneFormula:
C21H30O16N7P3Smiles:
Cc1cn(C2C[C@H](O)[C@H](COP(=O)(O)CP(=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)CP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 729.43 | Num_heavy_atoms: | 47 |
| TPSA: | 343.22 | 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 |
AD12126
Formula: C12H21O13N2P3
Smiles:
COP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O| HBA: | 15 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 494.22 | Num_heavy_atoms: | 30 |
| TPSA: | 223.91 | NumAromaticRings: | 1 |
