Glycoside
GD000589
Name:
NoneFormula:
C29H59O13N9Smiles:
NCCCC[C@H](N)C(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NAglycone:
CNC(=O)C(N)CCCCN.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: | 23 | FractionCSP3: | 0.97 |
| AlogP: | -9.32 | Num_rotatable_bonds: | 15 |
| MolWt: | 741.84 | Num_heavy_atoms: | 51 |
| TPSA: | 414.02 | 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 |
AD00640
Formula: C7H17ON3
Smiles:
CNC(=O)C(N)CCCCN| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 159.23 | Num_heavy_atoms: | 11 |
| TPSA: | 81.14 | NumAromaticRings: | 0 |
