Glycoside
GD001477
Name:
NoneFormula:
C27H33O8N5Smiles:
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O[C@@H]2O[C@H](c4nc6n(n4)CCC(O)N6)[C@H](O)[C@H](O)[C@H]2O)C=C[C@H]3[C@H]1C5Aglycone:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5.OC1CCn2ncnc2N1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 555.59 | Num_heavy_atoms: | 40 |
| TPSA: | 174.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD01097
Formula: C17H19O3N
Smiles:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 285.34 | Num_heavy_atoms: | 21 |
| TPSA: | 52.93 | NumAromaticRings: | 1 |
AD01477
Formula: C5H8ON4
Smiles:
OC1CCn2ncnc2N1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 140.15 | Num_heavy_atoms: | 10 |
| TPSA: | 62.97 | NumAromaticRings: | 1 |
