Glycoside
GD157911
Name:
4-(acetyloxy)-6-[(6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-{[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-11,12-dihydroxy-3,5,7,9,13,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-4-yl)oxy]-2,4-dimethyloxan-3-yl propanoateFormula:
C49H86O17N2Smiles:
CCC(=O)OC1C(C)OC(OC2C(C)C(=O)OC(CC)C(C)(C)C(O)C(O)C(=O)C(C)CC(C)(OC3CC(N(C)C)C(O)C(C)O3)C(OC3OC(C)CC(N(C)C)C3O)C2C)CC1(C)OC(C)=OAglycone:
CCC(=O)O.CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(O)C(O)C1(C)CSugarmoiety:
CC(=O)OC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 975.22 | Num_heavy_atoms: | 68 |
| TPSA: | 238.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD59843
Formula: C37H68O12N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(O)C(O)C1(C)C| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 732.95 | Num_heavy_atoms: | 51 |
| TPSA: | 187.92 | NumAromaticRings: | 0 |
