Glycoside
GD139957
Name:
6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,7,9,13-tetramethyl-15-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-1-oxacyclohexadeca-11,13-diene-2,10-dioneFormula:
C36H61O13NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(C)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(O)C1OAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(C)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 715.88 | Num_heavy_atoms: | 50 |
| TPSA: | 204.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01067
Formula: C22H36O6
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(C)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.52 | Num_heavy_atoms: | 28 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
