Glycoside
GD014397
Name:
NoneFormula:
C31H56O9N3PSmiles:
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](COP(=O)(O)OCCCC)O[C@@H](n2ccc(N)nc2=O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCCC(=O)O.CCCCOP(=O)(O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 25 |
| MolWt: | 645.78 | Num_heavy_atoms: | 44 |
| TPSA: | 172.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00752
Formula: C5H13O4P
Smiles:
CCCCOP(=O)(O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 168.13 | Num_heavy_atoms: | 10 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD02455
Formula: C18H36O2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 284.48 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
