Glycoside
GD005534
Name:
NoneFormula:
C28H39O13N4Smiles:
C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](Cn3cc(-c4cccnc4)nn3)C(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C([O-])C(O)Cn1cc(-c2cccnc2)nn1.OC1CCCCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 639.64 | Num_heavy_atoms: | 45 |
| TPSA: | 251.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD04691
Formula: C10H9O3N4
Smiles:
O=C([O-])C(O)Cn1cc(-c2cccnc2)nn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.21 | Num_heavy_atoms: | 17 |
| TPSA: | 103.96 | NumAromaticRings: | 2 |
