Glycoside
GD006340
Name:
NoneFormula:
C15H26O18N2P4Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC3CCCCC3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC1CCCCC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 646.27 | Num_heavy_atoms: | 39 |
| TPSA: | 299.9 | 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 |
AD05262
Formula: C7H18O13P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC1CCCCC1| HBA: | 13 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 434.1 | Num_heavy_atoms: | 24 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
