Glycoside
GD145509
Name:
Cmp-KdnFormula:
C18H28O16N3PSmiles:
N=c1ccn(C2OC(COP(=O)(O)OC3(C(=O)O)CC(O)C(O)C(C(O)C(O)CO)O3)C(O)C2O)c(O)n1Aglycone:
COP(=O)(O)O.N=C1C=C[N]C(O)=N1.OCC(O)COSugarmoiety:
O=C(O)C1(O)CC(O)C(O)C(C(O)C(O)CO)O1.OC(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.72 |
| AlogP: | -5.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 573.4 | Num_heavy_atoms: | 38 |
| TPSA: | 315.03 | NumAromaticRings: | 1 |
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 |
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
