Glycoside
GD023820
Name:
NoneFormula:
C16H19O18N2P4ClSmiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc3ccc(Cl)cc3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc1ccc(Cl)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 674.66 | Num_heavy_atoms: | 40 |
| TPSA: | 299.9 | 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 |
AD15987
Formula: C8H11O13P4Cl
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc1ccc(Cl)cc1| HBA: | 13 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.5 | Num_heavy_atoms: | 25 |
| TPSA: | 195.35 | NumAromaticRings: | 1 |
