Glycoside
GD004250
Name:
NoneFormula:
C25H44O8N6Smiles:
CCN(CC)CCN1CCN(C[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)CC1Aglycone:
CCN(CC)CCN1CCN(CC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)CC1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 556.66 | Num_heavy_atoms: | 39 |
| TPSA: | 178.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD03739
Formula: C20H35O5N5
Smiles:
CCN(CC)CCN1CCN(CC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)CC1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 425.53 | Num_heavy_atoms: | 30 |
| TPSA: | 114.27 | NumAromaticRings: | 1 |
