Glycoside
GD003642
Name:
NoneFormula:
C29H61O6N3Smiles:
CCCCCCCCCO[C@@H]1[C@H](CN)O[C@H](OCC(O)CNCCO)[C@H](N)[C@H]1OCCCCCCCCCAglycone:
CCCCCCCCCO.CCCCCCCCCO.OCCNCC(O)COSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 26 |
| MolWt: | 547.82 | Num_heavy_atoms: | 38 |
| TPSA: | 141.45 | 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 |
AD03287
Formula: C5H13O3N
Smiles:
OCCNCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 135.16 | Num_heavy_atoms: | 9 |
| TPSA: | 72.72 | NumAromaticRings: | 0 |
