Glycoside
GD033298
Name:
NoneFormula:
C10H13O8N2PSmiles:
C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OCP(=O)([O-])[O-]Aglycone:
O=P([O-])([O-])CO.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.19 | Num_heavy_atoms: | 21 |
| TPSA: | 156.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD20701
Formula: CH3O4P
Smiles:
O=P([O-])([O-])CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 83.42 | NumAromaticRings: | 0 |
