Glycoside
GD021168
Name:
NoneFormula:
C26H31O20N4P3Smiles:
O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H]3OC(Cc4ccccc4)O[C@@H]23)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C2OC(Cc3ccccc3)OC12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 14 |
| MolWt: | 812.46 | Num_heavy_atoms: | 53 |
| TPSA: | 335.92 | NumAromaticRings: | 3 |
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 |
AD14509
Formula: C18H23O15N2P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C2OC(Cc3ccccc3)OC12| HBA: | 17 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 600.3 | Num_heavy_atoms: | 38 |
| TPSA: | 231.37 | NumAromaticRings: | 2 |
