Glycoside
GD037869
Name:
n-[(2s,3r,4e)-1-{[4-o-(beta-d-galactopyranosyl)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamideFormula:
C52H99O13NSmiles:
CCCCCCCCCCCCCC=C[C@H](O)[C@@H](CO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | 7.55 | Num_rotatable_bonds: | 42 |
| MolWt: | 946.36 | Num_heavy_atoms: | 66 |
| TPSA: | 227.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD02722
Formula: C40H79O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 11.9 | Num_rotatable_bonds: | 36 |
| MolWt: | 622.08 | Num_heavy_atoms: | 44 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
