Glycoside
GD031042
Name:
NoneFormula:
C18H21O9N2PSmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H]([C@H](O)CP(=O)(O)O)[C@H](O)[C@H]2O)cc1C=Cc1ccccc1Aglycone:
O=P(O)(O)CCO.O=c1[nH]cc(C=Cc2ccccc2)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.35 | Num_heavy_atoms: | 30 |
| TPSA: | 182.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00029
Formula: C2H7O4P
Smiles:
O=P(O)(O)CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD08455
Formula: C12H10O2N2
Smiles:
O=c1[nH]cc(C=Cc2ccccc2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.22 | Num_heavy_atoms: | 16 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
