Glycoside
GD003831
Name:
NoneFormula:
C18H30O7N5PSmiles:
CC[n+]1cn([C@@H]2O[C@H](CO[PH](=O)[O-])[C@H](OC(C)C)[C@H]2OC(C)C)c2nc(N)[nH]c(=O)c21Aglycone:
CC[N+]1=C[N]c2nc(N)[nH]c(=O)c21.CO[PH](=O)[O-]Sugarmoiety:
CC(C)OC1C(O)OC(O)C1OC(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 459.44 | Num_heavy_atoms: | 31 |
| TPSA: | 157.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD02899
Formula: CH4O3P
Smiles:
CO[PH](=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 95.01 | Num_heavy_atoms: | 5 |
| TPSA: | 49.36 | NumAromaticRings: | 0 |
AD03422
Formula: C7H9ON5
Smiles:
CC[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.18 | Num_heavy_atoms: | 13 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
