Glycoside
GD026209
Name:
NoneFormula:
C22H32O23N4P4Smiles:
CCCC1O[C@@H]2[C@@H](n3ccc(=O)[nH]c3=O)O[C@@H](COP(=O)(O)OP(=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]2O1Aglycone:
CCCC1OC2C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC)OC(n3ccc(=O)[nH]c3=O)C2O1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 16 |
| MolWt: | 844.4 | Num_heavy_atoms: | 53 |
| TPSA: | 382.45 | 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 |
AD17295
Formula: C14H24O18N2P4
Smiles:
CCCC1OC2C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC)OC(n3ccc(=O)[nH]c3=O)C2O1| HBA: | 20 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 13 |
| MolWt: | 632.24 | Num_heavy_atoms: | 38 |
| TPSA: | 277.9 | NumAromaticRings: | 1 |
