Glycoside
GD015275
Name:
NoneFormula:
C20H32O24N3P3Smiles:
CC(=O)N[C@@H]1[C@H](OOP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O[C@@](C)(OP(=O)(O)O)C(=O)OAglycone:
CC(O)(OP(=O)(O)O)C(=O)O.COP(=O)(O)OP(=O)(O)OO.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -4.78 | Num_rotatable_bonds: | 16 |
| MolWt: | 791.4 | Num_heavy_atoms: | 50 |
| TPSA: | 408.15 | 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 |
AD09870
Formula: C3H7O7P
Smiles:
CC(O)(OP(=O)(O)O)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 186.06 | Num_heavy_atoms: | 11 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
AD11123
Formula: CH6O8P2
Smiles:
COP(=O)(O)OP(=O)(O)OO| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.0 | Num_heavy_atoms: | 11 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
