Glycoside
GD036486
Name:
NoneFormula:
C12H20O11N2P2Smiles:
CO[C@@H]1[C@H](O)[C@H](COP(=O)(O)CP(=O)(O)O)O[C@H]1n1cc(C)c(=O)[nH]c1=OAglycone:
COP(=O)(O)CP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.24 | Num_heavy_atoms: | 27 |
| TPSA: | 197.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
