Glycoside
GD002047
Name:
NoneFormula:
C24H46O11N6Smiles:
CNCC1=CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)O1Aglycone:
CNCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.92 |
| AlogP: | -6.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 594.66 | Num_heavy_atoms: | 41 |
| TPSA: | 298.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD01989
Formula: C13H26O4N4
Smiles:
CNCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.38 | Num_heavy_atoms: | 21 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
