Glycoside
GD039349
Name:
n-[(1s,2r,3e)-1-({[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}methyl)-2-h ydroxyheptadec-3-en-1-yl]octanamideFormula:
C44H81O18NSmiles:
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](OC3OC(CO)C(O)C(O)C3O)[C@@H]2O)[C@H](O)[C@@H]1O)NC(=O)CCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCSugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 31 |
| MolWt: | 912.12 | Num_heavy_atoms: | 63 |
| TPSA: | 307.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD24363
Formula: C26H51O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 22 |
| MolWt: | 425.7 | Num_heavy_atoms: | 30 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
