Glycoside
GD014297
Name:
NoneFormula:
C36H60O11N6FPSmiles:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC3OC(n4ccc(N)nc4=O)C(O)C3O)O2)cc1FAglycone:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OC)O2)cc1F.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 26 |
| MolWt: | 802.88 | Num_heavy_atoms: | 55 |
| TPSA: | 242.74 | NumAromaticRings: | 2 |
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 |
AD10532
Formula: C28H51O7N3FP
Smiles:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OC)O2)cc1F| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 6.47 | Num_rotatable_bonds: | 23 |
| MolWt: | 591.7 | Num_heavy_atoms: | 40 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
