Glycoside
GD012211
Name:
NoneFormula:
C17H26O18N2P2Smiles:
COC(=O)O[C@@H]1C[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]1n1ccc(=O)[nH]c1=OAglycone:
COC(=O)OC1CC(COP(=O)(O)OP(=O)(O)O)OC1n1ccc(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 608.34 | Num_heavy_atoms: | 39 |
| TPSA: | 292.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD09221
Formula: C11H16O13N2P2
Smiles:
COC(=O)OC1CC(COP(=O)(O)OP(=O)(O)O)OC1n1ccc(=O)[nH]c1=O| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.2 | Num_heavy_atoms: | 28 |
| TPSA: | 212.91 | NumAromaticRings: | 1 |
