Glycoside
GD012200
Name:
NoneFormula:
C27H48O8N4Smiles:
CCCCCCCCCCCCNC[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:
CCCCCCCCCCCCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 18 |
| MolWt: | 556.7 | Num_heavy_atoms: | 39 |
| TPSA: | 181.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD09213
Formula: C22H39O5N3
Smiles:
CCCCCCCCCCCCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 15 |
| MolWt: | 425.57 | Num_heavy_atoms: | 30 |
| TPSA: | 116.58 | NumAromaticRings: | 1 |
