Glycoside
GD029026
Name:
NoneFormula:
C29H62O5N4Smiles:
CCCCCCCCCO[C@@H]1[C@H](CN)O[C@H](OCC(O)CNCCN)[C@H](N)[C@H]1OCCCCCCCCCAglycone:
CCCCCCCCCO.CCCCCCCCCO.NCCNCC(O)COSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 26 |
| MolWt: | 546.84 | Num_heavy_atoms: | 38 |
| TPSA: | 147.24 | 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 |
AD18917
Formula: C5H14O2N2
Smiles:
NCCNCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 134.18 | Num_heavy_atoms: | 9 |
| TPSA: | 78.51 | NumAromaticRings: | 0 |
