Glycoside
GD147450
Name:
6-{[4-(dimethylamino)-5-hydroxy-6-{[10-hydroxy-4,5-dimethoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl propanoateFormula:
C39H65O14NSmiles:
CCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC(OC)C3OC)C(O)C2N(C)C)CC1(C)OAglycone:
CCC(=O)O.COC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 11 |
| MolWt: | 771.94 | Num_heavy_atoms: | 54 |
| TPSA: | 188.98 | 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 |
AD59048
Formula: C21H34O7
Smiles:
COC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OC| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.5 | Num_heavy_atoms: | 28 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
