Glycoside
GD011708
Name:
NoneFormula:
C37H61O11N5FPSmiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3F)C(O)C2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 26 |
| MolWt: | 801.89 | Num_heavy_atoms: | 55 |
| TPSA: | 216.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD02079
Formula: C22H41ON3
Smiles:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 18 |
| MolWt: | 363.59 | Num_heavy_atoms: | 26 |
| TPSA: | 57.78 | NumAromaticRings: | 1 |
AD08917
Formula: C11H16O7N2FP
Smiles:
COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.23 | Num_heavy_atoms: | 22 |
| TPSA: | 119.85 | NumAromaticRings: | 1 |
