Glycoside
GD132432
Name:
7-acetyl-6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-4-yl acetateFormula:
C37H61O14NSmiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(C(C)=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1OAglycone:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(C(C)=O)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 743.89 | Num_heavy_atoms: | 52 |
| TPSA: | 199.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD53621
Formula: C22H34O8
Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(C(C)=O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.51 | Num_heavy_atoms: | 30 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
