Glycoside
GD093905
Name:
NoneFormula:
C16H24O9N5PSmiles:
CC(=O)N1CC[C@@H](O[C@H]2[C@H](O)[C@@H](CO[PH](O)(O)O)O[C@H]2n2cnc3c(=O)[nH]cnc32)C1Aglycone:
CC(=O)N1CCC(O)C1.CO[PH](O)(O)O.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.37 | Num_heavy_atoms: | 31 |
| TPSA: | 192.49 | 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 |
AD40483
Formula: C6H11O2N
Smiles:
CC(=O)N1CCC(O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.16 | Num_heavy_atoms: | 9 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
