Glycoside
GD010060
Name:
2-({6-[(2,32-dimethyltritriacontan-17-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C47H92O11Smiles:
CC(C)CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC(C)C)O[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]1OAglycone:
CC(C)CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCC(C)CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 8.23 | Num_rotatable_bonds: | 36 |
| MolWt: | 833.24 | Num_heavy_atoms: | 58 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD07813
Formula: C35H72O
Smiles:
CC(C)CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCC(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 12.58 | Num_rotatable_bonds: | 30 |
| MolWt: | 508.96 | Num_heavy_atoms: | 36 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
