Glycoside
GD018066
Name:
NoneFormula:
C28H40O13N4Smiles:
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: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 640.64 | Num_heavy_atoms: | 45 |
| TPSA: | 248.43 | 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 |
AD12808
Formula: C10H10O3N4
Smiles:
O=C(O)C(O)Cn1cc(-c2cccnc2)nn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.22 | Num_heavy_atoms: | 17 |
| TPSA: | 101.13 | NumAromaticRings: | 2 |
