Glycoside
GD114353
Name:
4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12-dihydroxy-5,7,9,11,13-pentamethyl-1-oxacyclotetradecane-2,10-dioneFormula:
C35H63O12NSmiles:
CCC1OC(=O)CC(OC2CC(C)(O)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1CAglycone:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1CSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 689.88 | Num_heavy_atoms: | 48 |
| TPSA: | 184.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45006
Formula: C28H51O9N
Smiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 545.71 | Num_heavy_atoms: | 38 |
| TPSA: | 145.99 | NumAromaticRings: | 0 |
