Glycoside
GD039212
Name:
(2r,3s,5s,6r)-5-amino-3-hydroxy-6-methyl-oxan-2-ylFormula:
C16H26O13N6P2Smiles:
C[C@H]1O[C@H](O[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@H](O)C[C@@H]1NAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(N)CC1O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.69 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.36 | Num_heavy_atoms: | 37 |
| TPSA: | 297.05 | NumAromaticRings: | 2 |
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 |
AD24311
Formula: C7H17O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(N)CC1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 321.16 | Num_heavy_atoms: | 19 |
| TPSA: | 157.77 | NumAromaticRings: | 0 |
