Glycoside
GD001523
Name:
NoneFormula:
C18H36O8N4Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -4.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.51 | Num_heavy_atoms: | 30 |
| TPSA: | 221.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD01521
Formula: C12H26O4N4
Smiles:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.36 | Num_heavy_atoms: | 20 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
