Glycoside
GD132407
Name:
NoneFormula:
C11H18O9NPSmiles:
O=C(O)C1C=CCN(C2OC(COP(=O)(O)O)C(O)C2O)C1Aglycone:
COP(=O)(O)O.O=C(O)C1C=CCNC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.24 | Num_heavy_atoms: | 22 |
| TPSA: | 156.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD53607
Formula: C6H9O2N
Smiles:
O=C(O)C1C=CCNC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.14 | Num_heavy_atoms: | 9 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
