Glycoside
GD092318
Name:
NoneFormula:
C16H23O8N4PSmiles:
C#C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[PH](O)(O)O)O[C@H]1n1cnc2c(=O)[nH]cnc21)C(C)CAglycone:
C#CC(O)C(C)C.CO[PH](O)(O)O.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.35 | Num_heavy_atoms: | 29 |
| TPSA: | 172.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD40281
Formula: C6H10O
Smiles:
C#CC(O)C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.14 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
