Glycoside
GD029514
Name:
NoneFormula:
C16H22O12N3PSmiles:
O=C1[C@@H](O)[C@@H](O)C(=O)N1CCP(=O)(O)OC[C@@H]1O[C@H](Cn2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CCN1C(=O)C(O)C(O)C1=O.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -4.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 479.34 | Num_heavy_atoms: | 32 |
| TPSA: | 228.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD00607
Formula: C5H6O2N2
Smiles:
Cn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD19194
Formula: C7H12O7NP
Smiles:
COP(=O)(O)CCN1C(=O)C(O)C(O)C1=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.15 | Num_heavy_atoms: | 16 |
| TPSA: | 124.37 | NumAromaticRings: | 0 |
