Glycoside
GD019884
Name:
NoneFormula:
C45H78O11N5FPSmiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCCCC.Nc1nc(F)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 9.09 | Num_rotatable_bonds: | 38 |
| MolWt: | 915.11 | Num_heavy_atoms: | 63 |
| TPSA: | 230.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00084
Formula: C5H3N5F
Smiles:
Nc1nc(F)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.11 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13809
Formula: C36H70O8P
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCCCC| HBA: | 8 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 10.54 | Num_rotatable_bonds: | 35 |
| MolWt: | 661.92 | Num_heavy_atoms: | 45 |
| TPSA: | 111.19 | NumAromaticRings: | 0 |
