Glycoside
GD002449
Name:
NoneFormula:
C14H23O9N2PSmiles:
CCOP(=O)(C[C@H](O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CCO)OCC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 394.32 | Num_heavy_atoms: | 26 |
| TPSA: | 160.31 | 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 |
AD02338
Formula: C6H15O4P
Smiles:
CCOP(=O)(CCO)OCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 182.16 | Num_heavy_atoms: | 11 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
