Glycoside
GD025055
Name:
NoneFormula:
C35H62O16N6Smiles:
COc1cc(CCNCCO[C@@H]2[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)cc(OC)c1Aglycone:
COc1cc(CCNCCO)cc(OC)c1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 18 | FractionCSP3: | 0.83 |
| AlogP: | -6.99 | Num_rotatable_bonds: | 18 |
| MolWt: | 822.91 | Num_heavy_atoms: | 57 |
| TPSA: | 366.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD16659
Formula: C12H19O3N
Smiles:
COc1cc(CCNCCO)cc(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 225.29 | Num_heavy_atoms: | 16 |
| TPSA: | 50.72 | NumAromaticRings: | 1 |
