Glycoside
GD001440
Name:
NoneFormula:
C39H55O7N5Smiles:
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@H](CCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)[C@H]2OAglycone:
COC(=O)CCCCCCCCCCC1CC2C3CCc4cc(O)ccc4C3CCC2(C)C1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 14 |
| MolWt: | 705.9 | Num_heavy_atoms: | 51 |
| 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 |
AD01448
Formula: C30H46O4
Smiles:
COC(=O)CCCCCCCCCCC1CC2C3CCc4cc(O)ccc4C3CCC2(C)C1O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 6.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
