Glycoside
GD001771
Name:
NoneFormula:
C16H20O13N2P2Smiles:
COc1ccc(OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(OP(=O)(O)OP(=O)(O)OC)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 510.29 | Num_heavy_atoms: | 33 |
| TPSA: | 216.07 | NumAromaticRings: | 2 |
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 |
AD01739
Formula: C8H12O8P2
Smiles:
COc1ccc(OP(=O)(O)OP(=O)(O)OC)cc1| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.12 | Num_heavy_atoms: | 18 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
