Glycoside
GD090040
Name:
NoneFormula:
C16H25O8N5PSmiles:
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]1O[C@H]1C[C@]2(CC[NH2+]2)C1Aglycone:
CO[PH](O)(O)O.O=c1[nH]cnc2c1N=C[N]2.OC1CC2(CC[NH2+]2)C1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.38 | Num_heavy_atoms: | 30 |
| TPSA: | 188.79 | 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 |
AD39171
Formula: C6H12ON
Smiles:
OC1CC2(CC[NH2+]2)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.17 | Num_heavy_atoms: | 8 |
| TPSA: | 36.84 | NumAromaticRings: | 0 |
