Glycoside
GD009219
Name:
NoneFormula:
C22H37O8N5Smiles:
CN1CCCC1CCNC[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1C[C@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1Aglycone:
CN1CCCC1CCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 499.57 | Num_heavy_atoms: | 35 |
| TPSA: | 184.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD07250
Formula: C17H28O5N4
Smiles:
CN1CCCC1CCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 368.43 | Num_heavy_atoms: | 26 |
| TPSA: | 119.82 | NumAromaticRings: | 1 |
