Glycoside
GD006133
Name:
NoneFormula:
C27H57O5N3Smiles:
CCCCCCCCCO[C@@H]1[C@H](CN)O[C@H](OC[C@H](O)CN)[C@H](N)[C@H]1OCCCCCCCCCAglycone:
CCCCCCCCCO.CCCCCCCCCO.NCC(O)COSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 23 |
| MolWt: | 503.77 | Num_heavy_atoms: | 35 |
| TPSA: | 135.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00649
Formula: C9H20O
Smiles:
CCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 144.26 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD05103
Formula: C3H9O2N
Smiles:
NCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 91.11 | Num_heavy_atoms: | 6 |
| TPSA: | 66.48 | NumAromaticRings: | 0 |
