Glycoside
GD008374
Name:
NoneFormula:
C36H49O7N5Smiles:
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@H](CCCCCCCC(=O)OC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)[C@H]2OAglycone:
COC(=O)CCCCCCCC1CC2C3CCc4cc(O)ccc4C3CCC2(C)C1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 663.82 | Num_heavy_atoms: | 48 |
| TPSA: | 186.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD06689
Formula: C27H40O4
Smiles:
COC(=O)CCCCCCCC1CC2C3CCc4cc(O)ccc4C3CCC2(C)C1O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 428.61 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
