Glycoside
GD009105
Name:
NoneFormula:
C22H38O8N4Smiles:
CCCCCCCNC[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:
CCCCCCCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 13 |
| MolWt: | 486.57 | Num_heavy_atoms: | 34 |
| TPSA: | 181.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD07179
Formula: C17H29O5N3
Smiles:
CCCCCCCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 355.44 | Num_heavy_atoms: | 25 |
| TPSA: | 116.58 | NumAromaticRings: | 1 |
