Glycoside
GD037314
Name:
NoneFormula:
C13H22O11N2P2Smiles:
CCCn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)c1=OAglycone:
CCCn1c(=O)cc[nH]c1=O.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.27 | Num_heavy_atoms: | 28 |
| TPSA: | 197.75 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD14806
Formula: C7H10O2N2
Smiles:
CCCn1c(=O)cc[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.17 | Num_heavy_atoms: | 11 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
