Glycoside
GD117465
Name:
6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-14-(2-hydroxyethyl)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dioneFormula:
C36H65O13NSmiles:
COC1CC(OC2C(C)C(=O)OC(CCO)C(C)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1OAglycone:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(CCO)C(C)C(O)C(C)C(=O)C(C)CC2(C)O)O1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 719.91 | Num_heavy_atoms: | 50 |
| TPSA: | 193.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46834
Formula: C29H53O10N
Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(CCO)C(C)C(O)C(C)C(=O)C(C)CC2(C)O)O1| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 575.74 | Num_heavy_atoms: | 40 |
| TPSA: | 166.22 | NumAromaticRings: | 0 |
