Glycoside
GD021098
Name:
NoneFormula:
C36H57O12N5FPSmiles:
CCCCCCCCC=CCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OC3CC(n4cc(F)c(=O)[nH]c4=O)OC3CO)C(O)C2O)c(=O)n1Aglycone:
CCCCCCCCC=CCCCCCCCCNc1cc[nH]c(=O)n1.COP(=O)(O)OC1CC(n2cc(F)c(=O)[nH]c2=O)OC1COSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 25 |
| MolWt: | 801.85 | Num_heavy_atoms: | 55 |
| TPSA: | 236.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD14471
Formula: C22H39ON3
Smiles:
CCCCCCCCC=CCCCCCCCCNc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 17 |
| MolWt: | 361.57 | Num_heavy_atoms: | 26 |
| TPSA: | 57.78 | NumAromaticRings: | 1 |
AD14472
Formula: C10H14O8N2FP
Smiles:
COP(=O)(O)OC1CC(n2cc(F)c(=O)[nH]c2=O)OC1CO| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.2 | Num_heavy_atoms: | 22 |
| TPSA: | 140.08 | NumAromaticRings: | 1 |
