Glycoside
GD007459
Name:
NoneFormula:
C27H51O15N7Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CNC(=O)CCC(=O)O)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
CNC(=O)CCC(=O)O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 20 | FractionCSP3: | 0.93 |
| AlogP: | -8.91 | Num_rotatable_bonds: | 13 |
| MolWt: | 713.74 | Num_heavy_atoms: | 49 |
| TPSA: | 399.28 | NumAromaticRings: | 0 |
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 |
AD06077
Formula: C5H9O3N
Smiles:
CNC(=O)CCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.13 | Num_heavy_atoms: | 9 |
| TPSA: | 66.4 | NumAromaticRings: | 0 |
